Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T51565 | Target Info | |||
| Target Name | Casein kinase II alpha (CSNK2A1) | ||||
| Synonyms | Protein kinase CK2; Casein kinase II subunit alpha; CK2A1; CK II alpha; CK II | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CSNK2A1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Vitamin B3 | Ligand Info | |||||
| Structure Description | Crystal structure of human CK2a | PDB:3WAR | ||||
| Method | X-ray diffraction | Resolution | 1.04 Å | Mutation | No | [1] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Structure of Compound 17 bound to CK2alpha | PDB:8AEC | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Myo-inositol hexaphosphate | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha | PDB:5CVH | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [3] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IHP or .IHP2 or .IHP3 or :3IHP;style chemicals stick;color identity;select .A:229 or .A:234 or .A:236 or .A:244; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: ERB-041 | Ligand Info | |||||
| Structure Description | Human CSNK2A1 bound to ERB-041 | PDB:6QY7 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .041 or .0412 or .0413 or :3041;style chemicals stick;color identity;select .A:45 or .A:46 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CX-4945 | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945 | PDB:3PE1 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [5] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3NG or .3NG2 or .3NG3 or :33NG;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: KD025 | Ligand Info | |||||
| Structure Description | Structure of Belumosudil bound to CK2alpha | PDB:7Z39 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [6] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ICQ or .ICQ2 or .ICQ3 or :3ICQ;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:120 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: D-aspartic acid | Ligand Info | |||||
| Structure Description | Structure of protein kinase CK2 catalytic subunit with the CK2beta-competitive bisubstrate inhibitor ARC3140 | PDB:6SPW | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [7] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DAS or .DAS2 or .DAS3 or :3DAS;style chemicals stick;color identity;select .A:49 or .A:156 or .A:158 or .A:178 or .A:193 or .A:194; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of P8C9 bound to CK2alpha | PDB:6YZH | ||||
| Method | X-ray diffraction | Resolution | 1.19 Å | Mutation | No | [8] |
| PDB Sequence |
GGRLVPRFGE
-3 GEGSEGPVPS7 RARVYTDVNT17 HRPSEYWDYE27 SHVVEWGNQD37 DYQLVRKLGR 47 GKYSEVFEAI57 NITNNEKVVV67 KILKPVKKKK77 IKREIKILEN87 LRGGPNIITL 97 ADIVKDPVSR107 TPALVFEHVN117 NTDFKQLYQT127 LTDYDIRFYM137 YEILKALDYC 147 HSMGIMHRDV157 KPHNVMIDHE167 HRKLRLIDWG177 LAEFYHPGQE187 YNVRVASRYF 197 KGPELLVDYQ207 MYDYSLDMWS217 LGCMLASMIF227 RKEPFFHGHD237 NYDQLVRIAK 247 VLGTEDLYDY257 IDKYNIELDP267 RFNDILGRHS277 RKRWERFVHS287 ENQHLVSPEA 297 LDFLDKLLRY307 DHQSRLTARE317 AMEHPYFYTV327 VKEN
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:45 or .A:46 or .A:50 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:160 or .A:161 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4,5,6,7-tetrabromo-1H-benzo[d][1,2,3]triazole | Ligand Info | |||||
| Structure Description | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE (tBBT) | PDB:6TLL | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [9] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TBS or .TBS2 or .TBS3 or :3TBS;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:45 or .A:46 or .A:47 or .A:51 or .A:53 or .A:66 or .A:67 or .A:68 or .A:69 or .A:95 or .A:101 or .A:102 or .A:103 or .A:106 or .A:108 or .A:109 or .A:110 or .A:113 or .A:116 or .A:117 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN36
0.583
ASP37
4.993
TYR39
3.583
GLN40
4.917
LEU41
3.588
LEU45
4.239
GLY46
4.541
ARG47
4.988
SER51
4.771
VAL53
3.571
VAL66
3.939
VAL67
4.075
LYS68
3.376
ILE69
3.667
ILE95
4.156
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5'-iodotubercidin | Ligand Info | |||||
| Structure Description | Crystal structure of CK2a1 with 5-iodotubercidin | PDB:6JWA | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [10] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5ID or .5ID2 or .5ID3 or :35ID;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:66 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:163 or .A:174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Apigenin | Ligand Info | |||||
| Structure Description | Crystal structure of human CK2 alpha complexed with apigenin | PDB:3AMY | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [11] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLSEVFEA56 INITNNEKVV 66 VKILKPVKKK76 KIKREIKILE86 NLRGGPNIIT96 LADIVKDTPA110 LVFEHVNNTD 120 FKQLYQTLTD130 YDIRFYMYEI140 LKALDYCHSM150 GIMHRDVKPH160 NVMIDHEHRK 170 LRLIDWGLAE180 FYHPGQEYNV190 RVASRYFKGP200 ELLVDYQMYD210 YSLDMWSLGC 220 MLASMIFRKE230 PFFHGHDNYD240 QLVRIAKVLG250 TEDLYDYIDK260 YNIELDPRFN 270 DILGRHSRKR280 WERFVHSENQ290 HLVSPEALDF300 LDKLLRYDHQ310 SRLTAREAME 320 HPYFYTVV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGI or .AGI2 or .AGI3 or :3AGI;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:85 or .A:95 or .A:111 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:163 or .A:174 or .A:175 or .A:176 or .A:177; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ellagic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human CK2 alpha complexed with Ellagic acid | PDB:2ZJW | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [12] |
| PDB Sequence |
MSGPVPSRAR
10 VYTDVNTHRP20 REYWDYESHV30 VEWGNQDDYQ40 LVRKLGRGKY50 SEVFEAINIT 60 NNEKVVVKIL70 KPVKKKKIKR80 EIKILENLRG90 GPNIITLADI100 VKDPVSRTPA 110 LVFEHVNNTD120 FKQLYQTLTD130 YDIRFYMYEI140 LKALDYCHSM150 GIMHRDVKPH 160 NVMIDHEHRK170 LRLIDWGLAE180 FYHPGQEYNV190 RVASRYFKGP200 ELLVDYQMYD 210 YSLDMWSLGC220 MLASMIFRKE230 PFFHGHDNYD240 QLVRIAKVLG250 TEDLYDYIDK 260 YNIELDPRFN270 DILGRHSRKR280 WERFVHSENQ290 HLVSPEALDF300 LDKLLRYDHQ 310 SRLTAREAME320 HPYFYTVVKD330 QA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .REF or .REF2 or .REF3 or :3REF;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Dehydrozingerone | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with curcumin degradation products | PDB:6HOP | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [13] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GJK or .GJK2 or .GJK3 or :3GJK;style chemicals stick;color identity;select .A:45 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Ferulic acid | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with curcumin degradation products | PDB:6HOP | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [13] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FER or .FER2 or .FER3 or :3FER;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: T83193 | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with curcumin degradation products | PDB:6HOP | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [13] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V55 or .V552 or .V553 or :3V55;style chemicals stick;color identity;select .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Boldine | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with boldine | PDB:6HNY | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [14] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GHT or .GHT2 or .GHT3 or :3GHT;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Coumestrol | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with coumestrol | PDB:6HNW | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [14] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CUE or .CUE2 or .CUE3 or :3CUE;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Emodin | Ligand Info | |||||
| Structure Description | High pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2 | PDB:3BQC | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [15] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EMO or .EMO2 or .EMO3 or :3EMO;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-betagamma-meATP | Ligand Info | |||||
| Structure Description | Crystal structure of a heterotetrameric CK2 holoenzyme complex carrying the Andante-mutation in CK2beta and consistent with proposed models of autoinhibition and trans-autophosphorylation | PDB:4NH1 | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | Yes | [16] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKDQA332
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ACP or .ACP2 or .ACP3 or :3ACP;style chemicals stick;color identity;select .A:45 or .A:46 or .A:48 or .A:49 or .A:50 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:156 or .A:158 or .A:160 or .A:161 or .A:163 or .A:174 or .A:175 or .A:178; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU45
3.418
GLY46
4.932
GLY48
4.293
LYS49
4.966
TYR50
4.212
SER51
2.504
VAL53
3.415
VAL66
3.555
LYS68
3.297
ILE95
3.832
PHE113
4.864
GLU114
2.621
|
|||||
| Ligand Name: 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic subunit of human protein kinase CK2 with 5,6-dichloro-1-beta-D-ribofuranosylbenzimidazole | PDB:3H30 | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [17] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RFZ or .RFZ2 or .RFZ3 or :3RFZ;style chemicals stick;color identity;select .A:36 or .A:39 or .A:40 or .A:41 or .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:67 or .A:69 or .A:95 or .A:101 or .A:102 or .A:103 or .A:104 or .A:110 or .A:113 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:163 or .A:174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN36
4.028
TYR39
3.724
GLN40
3.097
LEU41
2.838
LEU45
3.501
GLY46
3.777
ARG47
4.049
VAL53
3.526
VAL66
3.946
VAL67
3.779
ILE69
3.588
ILE95
4.271
VAL101
3.228
|
|||||
| Ligand Name: Benzothiazine derivative 1 | Ligand Info | |||||
| Structure Description | Structure of human CK2 alpha kinase (catalytic subunit) with the inhibitor 108600. | PDB:7L1X | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [18] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ON6 or .ON62 or .ON63 or :3ON6;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:85 or .A:95 or .A:111 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG43
4.547
LEU45
3.019
SER51
4.023
VAL53
2.817
VAL66
2.748
LYS68
2.107
GLU81
3.484
LEU85
4.342
ILE95
2.019
LEU111
4.477
PHE113
2.937
GLU114
3.706
|
|||||
| Ligand Name: PMID24900749C1a | Ligand Info | |||||
| Structure Description | Crystal structure of CK2 with compound 2 | PDB:5H8B | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [19] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5Y2 or .5Y22 or .5Y23 or :35Y2;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Human CK2 catalytic domain in complex with AMPPN | PDB:3NSZ | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [20] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:160 or .A:161 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.951
GLY46
4.362
ARG47
3.898
GLY48
3.427
LYS49
2.780
TYR50
3.028
SER51
2.705
VAL53
3.385
VAL66
3.663
LYS68
2.692
GLU81
4.675
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Guanosine-5'-Diphosphate | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with GTP bound | PDB:6YPK | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | Yes | [21] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDP or .GDP2 or .GDP3 or :3GDP;style chemicals stick;color identity;select .A:50 or .A:51 or .A:68 or .A:70 or .A:73 or .A:74 or .A:77 or .A:78 or .A:80 or .A:81 or .A:155 or .A:175 or .A:177 or .A:178 or .A:180 or .A:189 or .A:191 or .A:192; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: P-coumaric acid | Ligand Info | |||||
| Structure Description | Crystal structure of Ck2alpha with ZT0633 bound | PDB:5MOV | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTV
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HC4 or .HC42 or .HC43 or :3HC4;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Uridine-5'-Diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide | PDB:4GYW | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [23] |
| PDB Sequence |
YPGGSTPVSS
22 ANMM
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UDP or .UDP2 or .UDP3 or :3UDP;style chemicals stick;color identity;select .B:18 or .B:19 or .B:20 or .B:21; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 8-(4,5,6,7-Tetraiodobenzimidazol-1-yl)octanoic acid | Ligand Info | |||||
| Structure Description | Structure of protein kinase CK2 catalytic subunit with the CK2beta-competitive bisubstrate inhibitor ARC3140 | PDB:6SPW | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [7] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A0Z or .A0Z2 or .A0Z3 or :3A0Z;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:156 or .A:158 or .A:161 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.136
GLY46
4.526
ARG47
3.465
GLY48
3.350
LYS49
3.717
SER51
4.647
VAL53
3.670
VAL66
3.801
LYS68
4.176
ILE95
3.788
PHE113
3.396
|
|||||
| Ligand Name: 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione | Ligand Info | |||||
| Structure Description | HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | PDB:5OMY | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [24] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 AR
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9YE or .9YE2 or .9YE3 or :39YE;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:118 or .A:119 or .A:120 or .A:160 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2~{S})-2-azanyl-3-(2-methylsulfanyl-1~{H}-indol-3-yl)propanal | Ligand Info | |||||
| Structure Description | Crystal structure of P8C9 bound to CK2alpha | PDB:6YZH | ||||
| Method | X-ray diffraction | Resolution | 1.19 Å | Mutation | No | [8] |
| PDB Sequence |
GGRLVPRFGE
-3 GEGSEGPVPS7 RARVYTDVNT17 HRPSEYWDYE27 SHVVEWGNQD37 DYQLVRKLGR 47 GKYSEVFEAI57 NITNNEKVVV67 KILKPVKKKK77 IKREIKILEN87 LRGGPNIITL 97 ADIVKDPVSR107 TPALVFEHVN117 NTDFKQLYQT127 LTDYDIRFYM137 YEILKALDYC 147 HSMGIMHRDV157 KPHNVMIDHE167 HRKLRLIDWG177 LAEFYHPGQE187 YNVRVASRYF 197 KGPELLVDYQ207 MYDYSLDMWS217 LGCMLASMIF227 RKEPFFHGHD237 NYDQLVRIAK 247 VLGTEDLYDY257 IDKYNIELDP267 RFNDILGRHS277 RKRWERFVHS287 ENQHLVSPEA 297 LDFLDKLLRY307 DHQSRLTARE317 AMEHPYFYTV327 VKEN
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q2E or .Q2E2 or .Q2E3 or :3Q2E;style chemicals stick;color identity;select .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:54; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,7-Dibromo-1H-benzo[d][1,2,3]triazole | Ligand Info | |||||
| Structure Description | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE | PDB:6TLS | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [9] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NL2 or .NL22 or .NL23 or :3NL2;style chemicals stick;color identity;select .A:36 or .A:39 or .A:41 or .A:53 or .A:66 or .A:67 or .A:68 or .A:69 or .A:81 or .A:95 or .A:101 or .A:102 or .A:103 or .A:106 or .A:108 or .A:109 or .A:110 or .A:112 or .A:113 or .A:114 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
0.760
TYR39
3.710
LEU41
3.502
VAL53
3.927
VAL66
3.968
VAL67
3.741
LYS68
2.841
ILE69
3.672
GLU81
4.614
ILE95
3.312
VAL101
3.925
LYS102
4.783
ASP103
3.650
|
|||||
| Ligand Name: 4,7-Dibromo-1H-benzo[d][1,2,3]triazole | Ligand Info | |||||
| Structure Description | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE | PDB:6TLR | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [9] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NKE or .NKE2 or .NKE3 or :3NKE;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:160 or .A:163 or .A:164 or .A:165 or .A:170 or .A:171 or .A:172 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.516
GLY46
4.481
VAL53
3.522
VAL66
3.944
LYS68
4.434
ILE95
3.669
PHE113
3.999
HIS115
4.120
VAL116
3.532
ASN117
2.890
ASN118
3.034
|
|||||
| Ligand Name: 5-Bromo-1H-benzotriazole | Ligand Info | |||||
| Structure Description | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5-BROMOBENZOTRIAZOLE | PDB:6TLV | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [9] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NKW or .NKW2 or .NKW3 or :3NKW;style chemicals stick;color identity;select .A:36 or .A:39 or .A:40 or .A:41 or .A:53 or .A:66 or .A:67 or .A:68 or .A:69 or .A:81 or .A:95 or .A:101 or .A:103 or .A:110 or .A:112 or .A:113 or .A:114 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.131
TYR39
3.803
GLN40
4.797
LEU41
3.707
VAL53
3.836
VAL66
3.783
VAL67
3.704
LYS68
2.891
ILE69
3.621
GLU81
4.585
ILE95
3.352
|
|||||
| Ligand Name: 5,6,7-Tribromo-1H-benzotriazole | Ligand Info | |||||
| Structure Description | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6-TRIBROMOBENZOTRIAZOLE | PDB:6TLO | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [9] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NKB or .NKB2 or .NKB3 or :3NKB;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:45 or .A:47 or .A:53 or .A:66 or .A:67 or .A:68 or .A:69 or .A:81 or .A:95 or .A:101 or .A:103 or .A:110 or .A:113 or .A:114 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
0.297
ASP37
4.658
TYR39
2.628
GLN40
3.974
LEU41
3.788
LEU45
4.335
ARG47
3.162
VAL53
3.900
VAL66
3.833
VAL67
4.027
LYS68
2.821
ILE69
2.827
|
|||||
| Ligand Name: 7-Bromo-1H-benzo[d][1,2,3]triazole | Ligand Info | |||||
| Structure Description | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4-BROMOBENZOTRIAZOLE | PDB:6TLW | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [9] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NKZ or .NKZ2 or .NKZ3 or :3NKZ;style chemicals stick;color identity;select .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,6-Dibromo-1h-benzotriazole | Ligand Info | |||||
| Structure Description | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE | PDB:6TLP | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [9] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7M0 or .7M02 or .7M03 or :37M0;style chemicals stick;color identity;select .A:45 or .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 30 | PDB:5OTO | ||||
| Method | X-ray diffraction | Resolution | 1.51 Å | Mutation | Yes | [25] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPSEY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFKQ123 LYQTLTDYDI133 RFYMYEILKA143 LDYCHSMGIM153 HRDVKPHNVM 163 IDHEHRKLRL173 IDWGLAEFYH183 PGQEYNVRVA193 SRYFKGPELL203 VDYQMYDYSL 213 DMWSLGCMLA223 SMIFRKEPFF233 HGHDNYDQLV243 RIAKVLGTED253 LYDYIDKYNI 263 ELDPRFNDIL273 GRHSRKRWER283 FVHSENQHLV293 SPEALDFLDK303 LLRYDHQSRL 313 TAREAMEHPY323 FYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AQW or .AQW2 or .AQW3 or :3AQW;style chemicals stick;color identity;select .B:45 or .B:46 or .B:53 or .B:118 or .B:119 or .B:121 or .B:128 or .B:132 or .B:133 or .B:136 or .B:137 or .B:140 or .B:159 or .B:160 or .B:161 or .B:162 or .B:163 or .B:164 or .B:171 or .B:174 or .B:221 or .B:222 or .B:224 or .B:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.173
GLY46
4.234
VAL53
3.658
ASN118
3.362
THR119
4.832
PHE121
3.502
LEU128
3.817
ASP132
4.811
ILE133
4.380
TYR136
3.958
MET137
4.248
ILE140
3.612
|
|||||
| Ligand Name: 2-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with an analogue of compound 22 | PDB:5OTP | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [25] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AT8 or .AT82 or .AT83 or :3AT8;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:118 or .A:121 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:171 or .A:174 or .A:221 or .A:222 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.524
GLY46
4.441
VAL53
3.842
ASN118
3.054
PHE121
3.870
LEU128
3.829
ASP132
4.082
ILE133
3.991
TYR136
3.737
MET137
3.675
ILE140
3.553
|
|||||
| Ligand Name: N-[[3-chloro-4-(2-ethylphenyl)phenyl]methyl]-2-(6-methoxy-1H-benzimidazol-2-yl)ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 29 | PDB:5OTL | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [25] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPSEY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFQT127 LTDYDIRFYM137 YEILKALDYC147 HSMGIMHRDV157 KPHNVMIDHE 167 HRKLRLIDWG177 LAEFYHPGQE187 YNVRVASRYF197 KGPELLVDYQ207 MYDYSLDMWS 217 LGCMLASMIF227 RKEPFFHGHD237 NYDQLVRIAK247 VLGTEDLYDY257 IDKYNIELDP 267 RFNDILGRHS277 RKRWERFVHS287 ENQHLVSPEA297 LDFLDKLLRY307 DHQSRLTARE 317 AMEHPYFYTV327
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AQT or .AQT2 or .AQT3 or :3AQT;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:118 or .A:119 or .A:120 or .A:121 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:171 or .A:174 or .A:221 or .A:222 or .A:224 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.098
GLY46
3.736
ARG47
4.223
VAL53
3.938
ASN118
2.748
THR119
4.706
ASP120
4.647
PHE121
3.856
LEU128
3.609
ILE133
4.477
TYR136
3.696
MET137
4.323
ILE140
3.684
|
|||||
| Ligand Name: [2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 25 | PDB:5OTD | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [25] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPSEY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFKQ123 LYQTLTDYDI133 RFYMYEILKA143 LDYCHSMGIM153 HRDVKPHNVM 163 IDHEHRKLRL173 IDWGLAEFYH183 PGQEYNVRVA193 SRYFKGPELL203 VDYQMYDYSL 213 DMWSLGCMLA223 SMIFRKEPFF233 HGHDNYDQLV243 RIAKVLGTED253 LYDYIDKYNI 263 ELDPRFNDIL273 GRHSRKRWER283 FVHSENQHLV293 SPEALDFLDK303 LLRYDHQSRL 313 TAREAMEHPY323 FYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AOW or .AOW2 or .AOW3 or :3AOW;style chemicals stick;color identity;select .B:45 or .B:53 or .B:118 or .B:119 or .B:121 or .B:124 or .B:128 or .B:132 or .B:133 or .B:136 or .B:137 or .B:140 or .B:159 or .B:160 or .B:161 or .B:162 or .B:163 or .B:164 or .B:171 or .B:174 or .B:221 or .B:222 or .B:224 or .B:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.419
VAL53
3.996
ASN118
3.345
THR119
4.850
PHE121
3.456
LEU124
4.232
LEU128
3.816
ASP132
4.961
ILE133
4.484
TYR136
3.814
MET137
4.257
ILE140
3.664
|
|||||
| Ligand Name: 1-(2-Chlorobiphenyl-4-Yl)methanamine | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with Compound 4 bound | PDB:5CSH | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [3] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPSEY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFKQ123 LYQTLTDYDI133 RFYMYEILKA143 LDYCHSMGIM153 HRDVKPHNVM 163 IDHEHRKLRL173 IDWGLAEFYH183 PGQEYNVRVA193 SRYFKGPELL203 VDYQMYDYSL 213 DMWSLGCMLA223 SMIFRKEPFF233 HGHDNYDQLV243 RIAKVLGTED253 LYDYIDKYNI 263 ELDPRFNDIL273 GRHSRKRWER283 FVHSENQHLV293 SPEALDFLDK303 LLRYDHQSRL 313 TAREAMEHPY323 FYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .54E or .54E2 or .54E3 or :354E;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:106 or .A:108 or .A:109 or .A:110 or .A:118 or .A:119 or .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:171 or .A:221 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.602
ASP37
4.210
TYR39
2.742
GLN40
4.519
LEU41
3.930
VAL67
3.812
ILE69
3.591
VAL101
4.023
LYS102
3.741
ASP103
3.362
SER106
4.970
THR108
3.151
PRO109
4.220
ALA110
3.513
ASN118
4.230
THR119
4.968
|
|||||
| Ligand Name: N-[[3-chloro-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 24 | PDB:5OT5 | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AWK or .AWK2 or .AWK3 or :3AWK;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:118 or .A:121 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:171 or .A:174 or .A:221 or .A:222 or .A:224 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.289
GLY46
4.018
VAL53
4.744
ASN118
3.839
PHE121
4.032
LEU128
3.848
ASP132
4.655
ILE133
4.108
TYR136
3.764
MET137
4.214
ILE140
3.572
PRO159
2.994
|
|||||
| Ligand Name: [3-Chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 4 | PDB:5OS7 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A8Q or .A8Q2 or .A8Q3 or :3A8Q;style chemicals stick;color identity;select .B:118 or .B:119 or .B:120 or .B:121 or .B:124 or .B:125 or .B:128 or .B:132 or .B:133 or .B:136 or .B:137 or .B:140 or .B:159 or .B:160 or .B:162 or .B:163 or .B:164 or .B:171 or .B:221 or .B:222 or .B:224 or .B:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN118
3.437
THR119
3.292
ASP120
4.466
PHE121
3.521
LEU124
3.567
TYR125
4.943
LEU128
3.488
ASP132
4.983
ILE133
4.359
TYR136
3.594
MET137
4.236
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(3,4-Dichlorophenyl)ethanamine | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound | PDB:5CLP | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | Yes | [3] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDQT127 LTDYDIRFYM137 YEILKALDYC147 HSMGIMHRDV157 KPHNVMIDHE 167 HRKLRLIDWG177 LAEFYHPGQE187 YNVRVASRYF197 KGPELLVDYQ207 MYDYSLDMWS 217 LGCMLASMIF227 RKEPFFHGHD237 NYDQLVRIAK247 VLGTEDLYDY257 IDKYNIELDP 267 RFNDILGRHS277 RKRWERFVHS287 ENQHLVSPEA297 LDFLDKLLRY307 DHQSRLTARE 317 AMEHPYFYTV327 VK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .42J or .42J2 or .42J3 or :342J;style chemicals stick;color identity;select .A:36 or .A:39 or .A:40 or .A:41 or .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:67 or .A:68 or .A:69 or .A:81 or .A:95 or .A:101 or .A:103 or .A:110 or .A:112 or .A:113 or .A:114 or .A:116 or .A:118 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:175 or .A:221 or .A:225 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:290 or .A:293 or .A:294 or .A:295 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.448
TYR39
3.059
GLN40
4.197
LEU41
3.618
LEU45
3.580
GLY46
3.333
ARG47
4.415
VAL53
3.606
VAL66
3.697
VAL67
3.820
LYS68
2.731
ILE69
3.308
GLU81
4.524
ILE95
3.627
VAL101
3.901
ASP103
2.849
ALA110
4.064
VAL112
4.931
PHE113
3.757
GLU114
4.077
VAL116
4.769
ASN118
4.861
LEU128
3.458
ASP132
4.773
ILE133
3.721
TYR136
3.607
MET137
3.912
ILE140
3.775
LYS158
4.800
PRO159
3.069
HIS160
3.311
ASN161
2.777
VAL162
2.763
MET163
3.525
ILE164
3.574
ILE174
3.565
ASP175
2.804
MET221
3.203
MET225
3.471
GLU282
3.003
ARG283
2.342
PHE284
3.704
VAL285
3.170
HIS286
3.786
SER287
3.745
GLN290
3.249
VAL293
2.761
SER294
4.066
PRO295
4.873
LEU298
4.383
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[[3-chloro-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1H-benzimidazol-2-yl)ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 26 | PDB:5OTH | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AQ8 or .AQ82 or .AQ83 or :3AQ8;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:118 or .A:121 or .A:125 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:222 or .A:224 or .A:225 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.298
GLY46
3.809
ARG47
3.899
VAL53
3.779
ASN118
3.207
PHE121
3.579
TYR125
3.537
ILE133
4.265
TYR136
4.593
MET137
4.116
ILE140
3.975
PRO159
3.074
|
|||||
| Ligand Name: Methyl 3-[(3-{[(2-Chlorobiphenyl-4-Yl)methyl]amino}propyl)amino]-3-Oxopropanoate | Ligand Info | |||||
| Structure Description | Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound | PDB:5CU2 | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | Yes | [22] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .551 or .5512 or .5513 or :3551;style chemicals stick;color identity;select .A:16 or .A:17 or .A:24 or .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:45 or .A:46 or .A:47 or .A:53 or .A:59 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:106 or .A:108 or .A:109 or .A:110 or .A:118 or .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:174 or .A:183 or .A:184 or .A:186 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN16
4.092
THR17
3.718
TRP24
3.314
GLN36
3.021
ASP37
3.410
TYR39
3.301
GLN40
3.759
LEU41
3.808
LEU45
3.536
GLY46
3.486
ARG47
4.701
VAL53
4.482
ILE59
4.451
VAL67
3.981
ILE69
3.779
VAL101
4.140
LYS102
3.744
ASP103
3.385
SER106
4.600
THR108
3.164
PRO109
4.383
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [3-Chloranyl-4-(2-methylphenyl)phenyl]methanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 2 | PDB:5ORH | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [25] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPSEY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFKQ123 LYQTLTDYDI133 RFYMYEILKA143 LDYCHSMGIM153 HRDVKPHNVM 163 IDHEHRKLRL173 IDWGLAEFYH183 PGQEYNVRVA193 SRYFKGPELL203 VDYQMYDYSL 213 DMWSLGCMLA223 SMIFRKEPFF233 HGHDNYDQLV243 RIAKVLGTED253 LYDYIDKYNI 263 ELDPRFNDIL273 GRHSRKRWER283 FVHSENQHLV293 SPEALDFLDK303 LLRYDHQSRL 313 TAREAMEHPY323 FYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A4N or .A4N2 or .A4N3 or :3A4N;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:104 or .A:108 or .A:109 or .A:110 or .A:118 or .A:119 or .A:121 or .A:124 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:171 or .A:221 or .A:222 or .A:224 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.304
ASP37
4.063
TYR39
3.112
GLN40
4.372
LEU41
3.866
VAL67
4.020
ILE69
3.913
VAL101
3.894
LYS102
3.587
ASP103
3.215
PRO104
4.717
THR108
3.179
PRO109
4.279
ALA110
3.554
ASN118
3.810
THR119
4.533
PHE121
3.450
|
|||||
| Ligand Name: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 22 | PDB:5OUU | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [25] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 YQTLTDYDIR134 FYMYEILKAL144 DYCHSMGIMH154 RDVKPHNVMI 164 DHEHRKLRLI174 DWGLAEFYHP184 GQEYNVRVAS194 RYFKGPELLV204 DYQMYDYSLD 214 MWSLGCMLAS224 MIFRKEPFFH234 GHDNYDQLVR244 IAKVLGTEDL254 YDYIDKYNIE 264 LDPRFNDILG274 RHSRKRWERF284 VHSENQHLVS294 PEALDFLDKL304 LRYDHQSRLT 314 AREAMEHPYF324 YTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AWN or .AWN2 or .AWN3 or :3AWN;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:118 or .A:121 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Naphthol | Ligand Info | |||||
| Structure Description | Crystal structure of compound 2 bound to CK2alpha | PDB:7ZY5 | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [2] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1NP or .1NP2 or .1NP3 or :31NP;style chemicals stick;color identity;select .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:162 or .A:164 or .A:221 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[[3-[3-[(3-Chloranyl-4-Phenyl-Phenyl)methylamino]propylamino]-3-Oxidanylidene-Propanoyl]amino]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | PDB:5MO8 | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [22] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPSEY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFKQ123 LYQTLTDYDI133 RFYMYEILKA143 LDYCHSMGIM153 HRDVKPHNVM 163 IDHEHRKLRL173 IDWGLAEFYH183 PGQEYNVRVA193 SRYFKGPELL203 VDYQMYDYSL 213 DMWSLGCMLA223 SMIFRKEPFF233 HGHDNYDQLV243 RIAKVLGTED253 LYDYIDKYNI 263 ELDPRFNDIL273 GRHSRKRWER283 FVHSENQHLV293 SPEALDFLDK303 LLRYDHQSRL 313 TAREAMEHPY323 FYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C98 or .C982 or .C983 or :3C98;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:118 or .A:121 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:174 or .A:175 or .A:176 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.077
VAL53
3.801
VAL66
3.668
LYS68
2.981
GLU81
4.552
ILE95
4.071
PHE113
3.407
ASN118
3.688
PHE121
3.398
ASP132
4.943
ILE133
4.161
TYR136
3.642
|
|||||
| Ligand Name: 5-Bromopyridine-2,3-diamine | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with ZT0432 bound | PDB:5MOW | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [22] |
| PDB Sequence |
GSSGPVPSRA
9 RVYTDVNTHR19 PSEYWDYESH29 VVEWGNQDDY39 QLVRKLGRGK49 YSEVFEAINI 59 TNNEKVVVKI69 LKPVKKKKIK79 REIKILENLR89 GGPNIITLAD99 IVKDPVSRTP 109 ALVFEHVNNT119 DFKQLYQTLT129 DYDIRFYMYE139 ILKALDYCHS149 MGIMHRDVKP 159 HNVMIDHEHR169 KLRLIDWGLA179 EFYHPGQEYN189 VRVASRYFKG199 PELLVDYQMY 209 DYSLDMWSLG219 CMLASMIFRK229 EPFFHGHDNY239 DQLVRIAKVL249 GTEDLYDYID 259 KYNIELDPRF269 NDILGRHSRK279 RWERFVHSEN289 QHLVSPEALD299 FLDKLLRYDH 309 QSRLTAREAM319 EHPYFYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BR9 or .BR92 or .BR93 or :3BR9;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(3-Chloro-4-Propoxyphenyl)methanamine | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with Compound 3 bound | PDB:5CS6 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | Yes | [3] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K82 or .K822 or .K823 or :3K82;style chemicals stick;color identity;select .A:16 or .A:17 or .A:24 or .A:118 or .A:121 or .A:128 or .A:132 or .A:133 or .A:136 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:183 or .A:184 or .A:186 or .A:221 or .A:225 or .A:255 or .A:258 or .A:259 or .A:265 or .A:269 or .A:270 or .A:273 or .A:295 or .A:296 or .A:299 or .A:321 or .A:322 or .A:325; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN16
4.954
THR17
3.891
TRP24
3.470
ASN118
3.678
PHE121
3.434
LEU128
3.552
ASP132
4.195
ILE133
3.767
TYR136
4.020
ILE140
4.569
PRO159
2.648
HIS160
4.297
VAL162
2.587
MET163
4.043
ILE164
3.374
HIS183
3.459
PRO184
4.800
|
|||||
| Ligand Name: [3-Chloranyl-4-(Furan-3-Yl)phenyl]methanamine | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | PDB:5MOE | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OQC or .OQC2 or .OQC3 or :3OQC;style chemicals stick;color identity;select .A:16 or .A:17 or .A:24 or .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:108 or .A:109 or .A:110 or .A:118 or .A:119 or .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:183 or .A:186 or .A:221 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN16
4.111
THR17
3.790
TRP24
3.289
GLN36
3.424
ASP37
4.139
TYR39
2.734
GLN40
4.646
LEU41
4.011
VAL67
3.746
ILE69
3.981
VAL101
4.020
LYS102
4.651
ASP103
3.224
THR108
3.598
PRO109
4.471
ALA110
3.166
ASN118
3.745
THR119
4.786
|
|||||
| Ligand Name: (3-Chloranyl-4-Phenyl-Phenyl)methyl-Methyl-Azanium | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with ZT0432 bound | PDB:5MP8 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RKN or .RKN2 or .RKN3 or :3RKN;style chemicals stick;color identity;select .A:118 or .A:119 or .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3-Chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 18 | PDB:6EII | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [25] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B5W or .B5W2 or .B5W3 or :3B5W;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:118 or .A:119 or .A:121 or .A:124 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:222 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.604
GLY46
4.636
VAL53
4.464
ASN118
3.752
THR119
4.819
PHE121
3.281
LEU124
3.840
LEU128
4.702
ILE133
3.974
TYR136
3.889
MET137
3.868
|
|||||
| Ligand Name: (3-chloro-4-phenylphenyl)methyl-[2-(1H-pyrrol-2-yl)ethyl]azanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 19 | PDB:5OT6 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [25] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJK or .AJK2 or .AJK3 or :3AJK;style chemicals stick;color identity;select .A:45 or .A:118 or .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3-Chloranyl-4-Phenyl-Phenyl)methyl-Propyl-Azanium | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with Compound 7 bound | PDB:5MMF | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JMB or .JMB2 or .JMB3 or :3JMB;style chemicals stick;color identity;select .A:118 or .A:121 or .A:124 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:222 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [3-Chloranyl-4-(2-ethylphenyl)phenyl]methanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 3 | PDB:5ORJ | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | Yes | [25] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPSEY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFKQ123 LYQTLTDYDI133 RFYMYEILKA143 LDYCHSMGIM153 HRDVKPHNVM 163 IDHEHRKLRL173 IDWGLAEFYH183 PGQEYNVRVA193 SRYFKGPELL203 VDYQMYDYSL 213 DMWSLGCMLA223 SMIFRKEPFF233 HGHDNYDQLV243 RIAKVLGTED253 LYDYIDKYNI 263 ELDPRFNDIL273 GRHSRKRWER283 FVHSENQHLV293 SPEALDFLDK303 LLRYDHQSRL 313 TAREAMEHPY323 FYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A4Q or .A4Q2 or .A4Q3 or :3A4Q;style chemicals stick;color identity;select .B:118 or .B:119 or .B:121 or .B:124 or .B:125 or .B:128 or .B:133 or .B:136 or .B:137 or .B:140 or .B:159 or .B:160 or .B:162 or .B:163 or .B:164 or .B:171 or .B:221 or .B:222 or .B:224 or .B:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN118
3.944
THR119
4.700
PHE121
3.154
LEU124
3.844
TYR125
4.605
LEU128
4.511
ILE133
3.934
TYR136
3.938
MET137
3.820
ILE140
3.519
|
|||||
| Ligand Name: N'-[(3-chloro-4-phenylphenyl)methyl]butane-1,4-diamine | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound | PDB:5MMR | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H83 or .H832 or .H833 or :3H83;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:106 or .A:108 or .A:109 or .A:110 or .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.343
ASP37
3.408
TYR39
3.198
GLN40
4.793
LEU41
3.804
VAL67
3.842
ILE69
3.760
VAL101
4.068
LYS102
3.723
ASP103
3.356
SER106
4.809
THR108
3.100
PRO109
4.209
ALA110
3.518
ASN118
3.734
THR119
4.947
PHE121
3.705
LEU124
3.543
|
|||||
| Ligand Name: (3-chloro-4-phenylphenyl)methyl-[2-(1H-imidazol-5-yl)ethyl]azanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 20 | PDB:5OUE | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [25] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AVZ or .AVZ2 or .AVZ3 or :3AVZ;style chemicals stick;color identity;select .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN118
3.429
THR119
4.874
PHE121
4.004
LEU124
4.217
TYR125
4.954
LEU128
3.661
ASP132
4.783
ILE133
3.943
TYR136
3.530
MET137
3.804
|
|||||
| Ligand Name: 3-Hydroxy-5-methylbenzoic acid | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 20 | PDB:5OUE | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [25] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AW5 or .AW52 or .AW53 or :3AW5;style chemicals stick;color identity;select .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{[(2-Chlorobiphenyl-4-Yl)methyl]amino}propan-1-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound | PDB:5CT0 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .54P or .54P2 or .54P3 or :354P;style chemicals stick;color identity;select .A:118 or .A:119 or .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:222 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-{[(2-Chlorobiphenyl-4-Yl)methyl]amino}propyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of CK2alpha with N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound | PDB:5CTP | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [22] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPSEY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFKQ123 LYQTLTDYDI133 RFYMYEILKA143 LDYCHSMGIM153 HRDVKPHNVM 163 IDHEHRKLRL173 IDWGLAEFYH183 PGQEYNVRVA193 SRYFKGPELL203 VDYQMYDYSL 213 DMWSLGCMLA223 SMIFRKEPFF233 HGHDNYDQLV243 RIAKVLGTED253 LYDYIDKYNI 263 ELDPRFNDIL273 GRHSRKRWER283 FVHSENQHLV293 SPEALDFLDK303 LLRYDHQSRL 313 TAREAMEHPY323 FYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .54R or .54R2 or .54R3 or :354R;style chemicals stick;color identity;select .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[3-[(3-chloro-4-phenylphenyl)methylamino]propyl]methanesulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | PDB:5MO5 | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [22] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4IH or .4IH2 or .4IH3 or :34IH;style chemicals stick;color identity;select .A:45 or .A:118 or .A:119 or .A:121 or .A:124 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:222 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.331
ASN118
3.722
THR119
4.769
PHE121
3.386
LEU124
3.659
LEU128
3.511
ILE133
4.466
TYR136
3.739
MET137
3.834
ILE140
4.537
|
|||||
| Ligand Name: (3-Chloranyl-4-Phenyl-Phenyl)methyl-Ethyl-Azanium | Ligand Info | |||||
| Structure Description | 1-(2-chloro-[1,1'-biphenyl]-4-yl)-N-methylethanamine | PDB:5MPJ | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J2P or .J2P2 or .J2P3 or :3J2P;style chemicals stick;color identity;select .A:118 or .A:121 or .A:124 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:222 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[(3-Chloranyl-4-Phenyl-Phenyl)methylamino]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | PDB:5MO7 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [22] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YRA or .YRA2 or .YRA3 or :3YRA;style chemicals stick;color identity;select .A:118 or .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:158 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(4-Pyridin-2-yl-thiazol-2-ylamino)-benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the 2-aminothiazole-type inhibitor 17 | PDB:6TEI | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [26] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N4N or .N4N2 or .N4N3 or :3N4N;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N'-[2-(3,4-dichlorophenyl)ethyl]-N-[4-(4,5,6,7-tetrabromobenzimidazol-1-yl)butyl]butanediamide | Ligand Info | |||||
| Structure Description | Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2 | PDB:7AT5 | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [27] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 AR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RXE or .RXE2 or .RXE3 or :3RXE;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:121 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.223
VAL53
3.750
VAL66
3.730
ILE95
3.735
PHE113
3.925
GLU114
3.350
HIS115
4.767
VAL116
3.056
ASN118
3.707
PHE121
3.193
TYR125
2.520
LEU128
3.657
ASP132
4.555
|
|||||
| Ligand Name: Trifluoroacetic Acid | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 9 | PDB:5OUL | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TFA or .TFA2 or .TFA3 or :3TFA;style chemicals stick;color identity;select .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [3-Chloranyl-4-(3-fluorophenyl)phenyl]methanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 9 | PDB:5OUL | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AWE or .AWE2 or .AWE3 or :3AWE;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:66 or .A:69 or .A:70 or .A:71 or .A:72 or .A:95 or .A:103 or .A:105 or .A:106 or .A:108 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:175 or .A:221 or .A:222 or .A:225 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:290 or .A:291 or .A:292 or .A:293 or .A:294 or .A:295 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG43
3.945
LEU45
3.770
SER51
4.929
GLU52
3.201
VAL53
4.075
PHE54
4.730
GLU55
3.723
VAL66
3.794
ILE69
3.412
LEU70
3.975
LYS71
3.603
PRO72
3.226
ILE95
3.810
ASP103
2.798
VAL105
3.799
SER106
3.647
THR108
4.963
GLU114
4.195
HIS115
4.039
VAL116
3.363
ASN117
4.875
ASN118
2.930
THR119
4.475
PHE121
3.580
LEU124
3.940
TYR125
3.945
LEU128
3.891
ASP132
3.883
ILE133
3.191
TYR136
3.213
MET137
3.748
ILE140
4.598
LYS158
3.867
PRO159
2.699
HIS160
3.206
ASN161
2.682
VAL162
2.770
MET163
3.638
ILE164
3.604
ILE174
3.576
ASP175
4.062
MET221
2.979
LEU222
4.769
MET225
2.175
GLU282
2.803
ARG283
3.349
PHE284
4.582
VAL285
2.810
HIS286
4.653
GLN290
2.926
HIS291
4.123
LEU292
4.988
VAL293
2.935
SER294
3.708
PRO295
3.313
LEU298
3.158
|
|||||
| Ligand Name: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 33 | PDB:5OTQ | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AUH or .AUH2 or .AUH3 or :3AUH;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:41 or .A:45 or .A:46 or .A:47 or .A:53 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:106 or .A:108 or .A:109 or .A:110 or .A:118 or .A:121 or .A:124 or .A:125 or .A:127 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:171 or .A:174 or .A:221 or .A:222 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.122
ASP37
4.673
TYR39
3.413
LEU41
3.376
LEU45
3.568
GLY46
3.449
ARG47
4.466
VAL53
3.786
VAL67
3.882
ILE69
3.644
VAL101
4.025
LYS102
4.094
ASP103
3.512
SER106
4.809
THR108
3.237
PRO109
4.185
ALA110
3.511
ASN118
4.012
PHE121
3.754
|
|||||
| Ligand Name: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with CAM4712 and compound 37 | PDB:6EHK | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AUW or .AUW2 or .AUW3 or :3AUW;style chemicals stick;color identity;select .A:45 or .A:53 or .A:118 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:222 or .A:225 or .A:230; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.118
VAL53
4.557
ASN118
3.798
PHE121
4.216
LEU124
3.730
TYR125
3.516
LEU128
4.110
ILE133
3.987
TYR136
4.537
MET137
4.018
ILE140
3.727
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-Methylsalicylic acid | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with CAM4712 and compound 37 | PDB:6EHK | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .54G or .54G2 or .54G3 or :354G;style chemicals stick;color identity;select .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [3,5-Bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 1 | PDB:5OTZ | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AUT or .AUT2 or .AUT3 or :3AUT;style chemicals stick;color identity;select .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:222 or .A:225 or .A:255 or .A:270; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [3,5-Bis(chloranyl)-4-phenyl-phenyl]methylazanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 14 | PDB:5OTR | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AU8 or .AU82 or .AU83 or :3AU8;style chemicals stick;color identity;select .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:171 or .A:221 or .A:222 or .A:225 or .A:255 or .A:270 or .A:271 or .A:282 or .A:285 or .A:290 or .A:291 or .A:293 or .A:294 or .A:295 or .A:298; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN118
4.235
THR119
4.914
PHE121
3.938
LEU124
3.799
TYR125
3.630
LEU128
3.892
ILE133
3.959
TYR136
4.334
MET137
3.850
ILE140
3.515
PRO159
2.785
HIS160
4.408
VAL162
2.904
MET163
4.585
ILE164
3.709
|
|||||
| Ligand Name: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 31 | PDB:5OYF | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B4Q or .B4Q2 or .B4Q3 or :3B4Q;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:41 or .A:45 or .A:46 or .A:53 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:108 or .A:109 or .A:110 or .A:118 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:222 or .A:224 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.142
ASP37
4.155
TYR39
3.098
LEU41
3.907
LEU45
3.337
GLY46
3.592
VAL53
3.729
VAL67
4.316
ILE69
3.666
VAL101
3.953
LYS102
4.012
ASP103
3.434
THR108
3.368
PRO109
4.262
ALA110
3.588
ASN118
4.138
PHE121
3.816
LEU124
3.747
|
|||||
| Ligand Name: [3-Chloranyl-4-(2-methoxy-5-methyl-phenyl)phenyl]methanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with an analogue of compound 1 | PDB:5OSR | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AFK or .AFK2 or .AFK3 or :3AFK;style chemicals stick;color identity;select .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:222 or .A:224 or .A:225 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN118
3.617
THR119
4.389
PHE121
3.991
LEU124
3.640
TYR125
3.363
LEU128
4.288
ILE133
3.646
TYR136
3.653
MET137
3.648
ILE140
4.281
|
|||||
| Ligand Name: N-[[3-chloro-4-(2-ethylphenyl)phenyl]methyl]-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 27 | PDB:5OTI | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AOK or .AOK2 or .AOK3 or :3AOK;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:221 or .A:222 or .A:224 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.995
VAL53
3.447
VAL66
4.628
ASN118
3.440
THR119
4.986
PHE121
3.540
LEU124
3.684
TYR125
3.652
LEU128
4.323
ILE133
4.268
TYR136
4.532
MET137
3.893
|
|||||
| Ligand Name: [3-Chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with analogues of compound 1 | PDB:5OSU | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AFW or .AFW2 or .AFW3 or :3AFW;style chemicals stick;color identity;select .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:222 or .A:224 or .A:225 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
THR119
4.510
PHE121
3.378
LEU124
3.649
TYR125
3.489
LEU128
3.742
ASP132
4.323
ILE133
3.352
TYR136
3.446
MET137
3.033
ILE140
3.427
|
|||||
| Ligand Name: 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3,5-bis(chloranyl)-4-phenyl-phenyl]methyl]azanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with an analogue of compound 22 | PDB:5OTS | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AU2 or .AU22 or .AU23 or :3AU2;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:45 or .A:46 or .A:47 or .A:53 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:104 or .A:108 or .A:109 or .A:110 or .A:118 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:171 or .A:174 or .A:203 or .A:204 or .A:205 or .A:221 or .A:225 or .A:238 or .A:239 or .A:242 or .A:264 or .A:265 or .A:266 or .A:267 or .A:269 or .A:272 or .A:273; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.324
ASP37
3.959
TYR39
3.130
GLN40
4.006
LEU41
3.580
LEU45
3.888
GLY46
3.903
ARG47
4.476
VAL53
3.858
VAL67
3.836
ILE69
3.766
VAL101
3.702
LYS102
3.902
ASP103
2.928
PRO104
4.271
THR108
3.329
PRO109
4.152
ALA110
3.563
ASN118
3.958
PHE121
3.798
LEU124
3.707
TYR125
3.395
LEU128
3.593
ILE133
4.190
TYR136
4.047
MET137
4.156
ILE140
3.609
PRO159
2.803
HIS160
2.636
ASN161
4.486
VAL162
2.798
MET163
4.307
ILE164
3.610
LEU171
4.683
ILE174
4.041
LEU203
2.830
VAL204
3.628
ASP205
2.809
MET221
3.449
MET225
3.021
ASN238
4.821
TYR239
3.617
LEU242
3.798
GLU264
3.522
LEU265
3.394
ASP266
2.846
PRO267
3.584
PHE269
4.076
ILE272
4.126
LEU273
4.034
|
|||||
| Ligand Name: [3-Chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with an analogue of compound 1 | PDB:5OSP | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A9W or .A9W2 or .A9W3 or :3A9W;style chemicals stick;color identity;select .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:222 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 32 | PDB:6EHU | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B5E or .B5E2 or .B5E3 or :3B5E;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:45 or .A:46 or .A:47 or .A:48 or .A:53 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:104 or .A:108 or .A:109 or .A:110 or .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:203 or .A:204 or .A:205 or .A:221 or .A:224 or .A:225 or .A:230 or .A:238 or .A:239 or .A:242 or .A:264 or .A:265 or .A:266 or .A:267 or .A:269 or .A:272 or .A:273; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.153
ASP37
3.650
TYR39
3.314
GLN40
4.701
LEU41
3.567
LEU45
3.607
GLY46
3.613
ARG47
4.057
GLY48
4.930
VAL53
3.766
VAL67
3.839
ILE69
4.087
VAL101
3.537
LYS102
3.755
ASP103
3.271
PRO104
4.926
THR108
3.187
PRO109
4.104
ALA110
3.609
ASN118
2.974
THR119
4.760
PHE121
3.722
LEU124
3.753
TYR125
3.489
LEU128
3.936
ILE140
4.956
PRO159
2.858
HIS160
2.721
ASN161
4.957
VAL162
3.005
MET163
3.664
ILE164
3.510
ILE174
3.734
LEU203
2.754
VAL204
3.806
ASP205
3.180
MET221
3.317
SER224
3.317
MET225
3.125
GLU230
4.263
ASN238
4.942
TYR239
3.785
LEU242
3.499
GLU264
3.201
LEU265
3.450
ASP266
3.007
PRO267
2.920
PHE269
3.829
ILE272
3.548
LEU273
3.946
|
|||||
| Ligand Name: 2-[4-(Aminomethyl)-2-chloranyl-phenyl]phenol | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 7 | PDB:5OSL | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [25] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVAAAKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A9K or .A9K2 or .A9K3 or :3A9K;style chemicals stick;color identity;select .A:47 or .A:51 or .A:52 or .A:54 or .A:69 or .A:70 or .A:71 or .A:72 or .A:103 or .A:105 or .A:106 or .A:108 or .A:118 or .A:119 or .A:120 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:221 or .A:222 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG47
4.187
SER51
4.967
GLU52
2.840
PHE54
4.024
ILE69
3.684
LEU70
4.097
LYS71
3.764
PRO72
3.316
ASP103
4.309
VAL105
3.941
SER106
3.630
THR108
4.903
ASN118
3.356
THR119
3.587
ASP120
4.674
PHE121
3.815
|
|||||
| Ligand Name: 2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 23 | PDB:5OSZ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AHK or .AHK2 or .AHK3 or :3AHK;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:45 or .A:46 or .A:47 or .A:53 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:104 or .A:108 or .A:109 or .A:110 or .A:118 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:203 or .A:204 or .A:205 or .A:221 or .A:222 or .A:224 or .A:225 or .A:238 or .A:239 or .A:242 or .A:243 or .A:264 or .A:265 or .A:266 or .A:267 or .A:269 or .A:272 or .A:273; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
3.217
ASP37
4.358
TYR39
3.356
GLN40
4.442
LEU41
4.115
LEU45
3.539
GLY46
3.705
ARG47
4.231
VAL53
3.958
VAL67
3.930
ILE69
3.772
VAL101
3.870
LYS102
3.787
ASP103
3.362
PRO104
4.966
THR108
3.120
PRO109
4.044
ALA110
3.539
ASN118
4.049
PHE121
3.072
LEU124
3.495
TYR125
3.185
LEU128
3.905
ILE133
4.173
TYR136
4.528
MET137
4.059
ILE140
4.975
PRO159
2.994
HIS160
2.751
ASN161
4.591
VAL162
2.922
MET163
3.948
ILE164
3.646
ILE174
4.123
LEU203
2.984
VAL204
3.972
ASP205
2.769
MET221
3.860
LEU222
4.813
SER224
4.462
MET225
3.193
ASN238
4.820
TYR239
3.715
LEU242
3.676
VAL243
4.954
GLU264
3.350
LEU265
3.556
ASP266
2.881
PRO267
3.701
PHE269
4.084
ILE272
3.803
LEU273
3.762
|
|||||
| Ligand Name: 7-(cyclopropylamino)-5-[5-(6-oxo-1H-pyridin-3-yl)-1-(2-piperidin-1-ylethyl)triazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of CK2 bound by compound 7 | PDB:7AY9 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [28] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S92 or .S922 or .S923 or :3S92;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:160 or .A:161 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-[(1R,2R)-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of CK2 bound by compound 9 | PDB:7AYA | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [29] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S8W or .S8W2 or .S8W3 or :3S8W;style chemicals stick;color identity;select .A:43 or .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:55 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (12S,14S,17E)-12-(hydroxymethyl)-24-oxo-15,20-dioxa-2,4,5,9,11,23-hexazahexacyclo[19.7.1.13,10.111,14.04,8.022,27]hentriaconta-1(28),3(31),5,7,9,17,21(29),22(27)-octaene-7-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | PDB:5N1V | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [30] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GQ or .8GQ2 or .8GQ3 or :38GQ;style chemicals stick;color identity;select .A:43 or .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Bromo-2-methoxy-4-(((3-(methylthio)-5-phenyl-4H-1,2,4-triazol-4-yl)imino)methyl)phenol | Ligand Info | |||||
| Structure Description | Crystal structure of the CK2a1-go289 complex | PDB:6A1C | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [31] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9NX or .9NX2 or .9NX3 or :39NX;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of CK2a1 complexed with KY49 | PDB:7BU4 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [32] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y49 or .Y492 or .Y493 or :3Y49;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:85 or .A:95 or .A:111 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176 or .A:177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.588
GLY46
3.783
ARG47
4.540
VAL53
3.834
VAL66
3.388
LYS68
2.246
GLU81
2.404
LEU85
4.136
ILE95
3.835
LEU111
4.786
PHE113
3.468
|
|||||
| Ligand Name: Hematine Bovine | Ligand Info | |||||
| Structure Description | Crystal structure of CK2a1 with hematein | PDB:6L1Z | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [33] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E3U or .E3U2 or .E3U3 or :3E3U;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:85 or .A:95 or .A:113 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[5-(4-Nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the CK2alpha/compound10 complex | PDB:3WIK | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [34] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LCT or .LCT2 or .LCT3 or :3LCT;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [1-(6-{6-[(1-Methylethyl)amino]-1h-Indazol-1-Yl}pyrazin-2-Yl)-1h-Pyrrol-3-Yl]acetic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of CK2alpha with pyradine derivertive | PDB:3AT4 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [35] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CCK or .CCK2 or .CCK3 or :3CCK;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:160 or .A:161 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[2-[(4-Methoxyphenyl)carbonylamino]-1,3-Thiazol-5-Yl]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the CK2a/benzoic acid derivative complex | PDB:5B0X | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [36] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HCK or .HCK2 or .HCK3 or :3HCK;style chemicals stick;color identity;select .A:43 or .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:120 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(5-Amino-1,3,4-thiadiazol-2-yl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human CK2alpha complexed with a potent inhibitor | PDB:3AXW | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [37] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TID or .TID2 or .TID3 or :3TID;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1-{6-[6-(Cyclopentylamino)-1h-Indazol-1-Yl]pyrazin-2-Yl}-1h-Pyrrol-3-Yl)acetic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of CK2alpha with pyradine derivative | PDB:3AT3 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [35] |
| PDB Sequence |
MSGPVPSRAR
10 VYTDVNTHRP20 REYWDYESHV30 VEWGNQDDYQ40 LVRKLGRGKY50 SEVFEAINIT 60 NNEKVVVKIL70 KPVKKKKIKR80 EIKILENLRG90 GPNIITLADI100 VKDPVSRTPA 110 LVFEHVNNTD120 FKQLYQTLTD130 YDIRFYMYEI140 LKALDYCHSM150 GIMHRDVKPH 160 NVMIDHEHRK170 LRLIDWGLAE180 FYHPGQEYNV190 RVASRYFKGP200 ELLVDYQMYD 210 YSLDMWSLGC220 MLASMIFRKE230 PFFHGHDNYD240 QLVRIAKVLG250 TEDLYDYIDK 260 YNIELDPRFN270 DILGRHSRKR280 WERFVHSENQ290 HLVSPEALDF300 LDKLLRYDHQ 310 SRLTAREAME320 HPYFYTVVKD330 QA
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ATK or .ATK2 or .ATK3 or :3ATK;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:160 or .A:161 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: {[(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the CK2alpha/compound3 complex | PDB:3WIL | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [38] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LCD or .LCD2 or .LCD3 or :3LCD;style chemicals stick;color identity;select .A:43 or .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:120 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-(Cyclopropylamino)-5-{[3-(Trifluoromethyl)phenyl]amino}pyrimido[4,5-C]quinoline-8-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-5279 | PDB:3R0T | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [5] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FU9 or .FU92 or .FU93 or :3FU9;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:53 or .A:55 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU45
3.384
GLY46
2.975
ARG47
3.225
GLY48
4.277
VAL53
3.342
GLU55
4.142
VAL66
3.519
LYS68
2.852
GLU81
4.617
ILE95
4.060
PHE113
3.346
|
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| Ligand Name: 5-((3-Ethynylphenyl)amino)pyrimido[4,5-c]quinoline-8-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2 in complex with the inhibitor CX-5011 | PDB:3PE2 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E1B or .E1B2 or .E1B3 or :3E1B;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4,5,6,7-Tetrabromo-1-(2-Deoxy-Beta-D-Erythro-Pentofuranosyl)-1h-Benzimidazole | Ligand Info | |||||
| Structure Description | Crystal Structure of Human CK2-alpha in complex with a benzimidazole inhibitor (K164) at 1.25 A resolution | PDB:4KWP | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [39] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EXX or .EXX2 or .EXX3 or :3EXX;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:119 or .A:120 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 1 | PDB:6RB1 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [40] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JWQ or .JWQ2 or .JWQ3 or :3JWQ;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:53 or .A:55 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-Hydroxy-3-methoxycinnamaldehyde | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with ferulic aldehyde | PDB:6HOT | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [13] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CIY or .CIY2 or .CIY3 or :3CIY;style chemicals stick;color identity;select .A:45 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CK2 inhibitor 3 | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 | PDB:6RFE | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [40] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K0Z or .K0Z2 or .K0Z3 or :3K0Z;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:53 or .A:55 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 | PDB:6RCM | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [40] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K0N or .K0N2 or .K0N3 or :3K0N;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:53 or .A:55 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | PDB:6RFF | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [40] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K1B or .K1B2 or .K1B3 or :3K1B;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:53 or .A:55 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Quinalizarin | Ligand Info | |||||
| Structure Description | Crystal structure of human CK2 alpha in complex with Quinalizarin at pH 8.5 | PDB:3Q9Y | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [41] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TXQ or .TXQ2 or .TXQ3 or :3TXQ;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide | Ligand Info | |||||
| Structure Description | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 14 | PDB:6RCB | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [40] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JYZ or .JYZ2 or .JYZ3 or :3JYZ;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[6,8-Bis(Chloranyl)-3-Oxidanyl-4-Oxidanylidene-Chromen-2-Yl]benzoic Acid | Ligand Info | |||||
| Structure Description | Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under low-salt conditions | PDB:5M4F | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [42] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7FC or .7FC2 or .7FC3 or :37FC;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione | Ligand Info | |||||
| Structure Description | HIGH-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA/CSKN2A1 GENE PRODUCT) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | PDB:6HBN | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [43] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKDQA332 RMG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FXB or .FXB2 or .FXB3 or :3FXB;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:115 or .A:118 or .A:120 or .A:160 or .A:161 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(Z)-(4-Methylanilino)methylene]-6,7-dichloro-8-hydroxy-1,2-dihydrodibenzofuran-3(4H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b) | PDB:5N9L | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [44] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8QH or .8QH2 or .8QH3 or :38QH;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7,9-Dichloro-8-hydroxy-4-(p-anisidinomethylene)-1,2-dihydrodibenzofuran-3-one | Ligand Info | |||||
| Structure Description | Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF85 (4a) | PDB:5N9N | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [44] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KC5 or .KC52 or .KC53 or :3KC5;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[(E)-(9h-Fluoren-9-Ylidenehydrazinylidene)methyl]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate | PDB:4RLL | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [45] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E91 or .E912 or .E913 or :3E91;style chemicals stick;color identity;select .A:43 or .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:115 or .A:116 or .A:117 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid | Ligand Info | |||||
| Structure Description | Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under low-salt conditions | PDB:5M4C | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [42] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKDQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7EY or .7EY2 or .7EY3 or :37EY;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 8-(4,5,6,7-tetrabromo-1H-benzimidazole-1-yl)octanoic acid | Ligand Info | |||||
| Structure Description | Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502 | PDB:6SPX | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [7] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9AB or .9AB2 or .9AB3 or :39AB;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:53 or .A:66 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:158 or .A:163 or .A:174; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | PDB:7A49 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [46] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QWN or .QWN2 or .QWN3 or :3QWN;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5,6-dibromo-1H-triazolo[4,5-b]pyridine | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | PDB:7A4B | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [46] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARM
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QXW or .QXW2 or .QXW3 or :3QXW;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(6,8-Dibromo-3-Hydroxy-4-Oxo-4h-Chromen-2-Yl)benzoic Acid | Ligand Info | |||||
| Structure Description | High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond | PDB:4UB7 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [47] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3G5 or .3G52 or .3G53 or :33G5;style chemicals stick;color identity;select .A:45 or .A:46 or .A:50 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-[4,5,6,7-Tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine | Ligand Info | |||||
| Structure Description | Low salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | PDB:5OWL | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [48] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B0K or .B0K2 or .B0K3 or :3B0K;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-(4,5,6,7-Tetrabromo-1h-Benzotriazol-1-Yl)propan-1-Ol | Ligand Info | |||||
| Structure Description | Structure of human CK2alpha in complex with the ATP-competitive inhibitor 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol | PDB:3RPS | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [49] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4B0 or .4B02 or .4B03 or :34B0;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[4-[2-[4,5,6,7-Tetrakis(Bromanyl)benzotriazol-2-Yl]ethyl]-1,2,3-Triazol-1-Yl]butan-1-Amine | Ligand Info | |||||
| Structure Description | Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry | PDB:5CQU | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [50] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JRJ or .JRJ2 or .JRJ3 or :3JRJ;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | PDB:7A4C | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [46] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 ARMG
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QWW or .QWW2 or .QWW3 or :3QWW;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Resorufin | Ligand Info | |||||
| Structure Description | Structure of a C-terminal deletion mutant of human protein kinase CK2 catalytic subunit with the ATP-competitive inhibitor resorufin | PDB:3U9C | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [51] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .04G or .04G2 or .04G3 or :304G;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:85 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (Z)-6,7-dichloro-3-(hydroxyimino)indolin-2-one | Ligand Info | |||||
| Structure Description | CK2alpha in complex with NMR154 | PDB:5NQC | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [52] |
| PDB Sequence |
PVPSRARVYT
13 DVNTHRPREY23 WDYESHVVEW33 GNQDDYQLVR43 KLGRGKYSEV53 FEAINITNNE 63 KVVVKILKPV73 KKKKIKREIK83 ILENLRGGPN93 IITLADIVKD103 PVSRTPALVF 113 EHVNNTDFKQ123 LYQTLTDYDI133 RFYMYEILKA143 LDYCHSMGIM153 HRDVKPHNVM 163 IDHEHRKLRL173 IDWGLAEFYH183 PGQEYNVRVA193 SRYFKGPELL203 VDYQMYDYSL 213 DMWSLGCMLA223 SMIFRKEPFF233 HGHDNYDQLV243 RIAKVLGTED253 LYDYIDKYNI 263 ELDPRFNDIL273 GRHSRKRWER283 FVHSENQHLV293 SPEALDFLDK303 LLRYDHQSRL 313 TAREAMEHPY323 FYTVVKDQAR333 M
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1KP or .1KP2 or .1KP3 or :31KP;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:45 or .A:46 or .A:47 or .A:53 or .A:66 or .A:67 or .A:69 or .A:95 or .A:101 or .A:102 or .A:103 or .A:104 or .A:110 or .A:112 or .A:113 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
2.858
ASP37
4.179
TYR39
3.213
GLN40
4.393
LEU41
4.111
LEU45
3.876
GLY46
3.643
ARG47
4.910
VAL53
3.609
VAL66
3.751
VAL67
3.989
ILE69
3.780
ILE95
3.267
|
|||||
| Ligand Name: Acetamide, N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[[2-(dimethylamino)ethyl]methylamino]phenyl]- | Ligand Info | |||||
| Structure Description | Crystal structure of CK2 with compound 7b | PDB:5H8G | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [19] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKK74 KKKIKREIKI84 LENLRGGPNI94 ITLADIVKDP104 VSRTPALVFE 114 HVNNTDFKQL124 YQTLTDYDIR134 FYMYEILKAL144 DYCHSMGIMH154 RDVKPHNVMI 164 DHEHRKLRLI174 DWGLAEFYHP184 GQEYNVRVAS194 RYFKGPELLV204 DYQMYDYSLD 214 MWSLGCMLAS224 MIFRKEPFFH234 GHDNYDQLVR244 IAKVLGTEDL254 YDYIDKYNIE 264 LDPRFNDILG274 RHSRKRWERF284 VHSENQHLVS294 PEALDFLDKL304 LRYDHQSRLT 314 AREAMEHPYF324 YTVV
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5Y4 or .5Y42 or .5Y43 or :35Y4;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:156 or .A:158 or .A:161 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.758
GLY46
4.337
ARG47
3.725
GLY48
3.854
SER51
3.152
VAL53
3.476
VAL66
3.524
LYS68
3.029
GLU81
4.632
ILE95
3.474
PHE113
3.415
GLU114
3.342
|
|||||
| Ligand Name: 7-(cyclopropylamino)-5-[3-(6-oxo-1H-pyridin-3-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of CK2 | PDB:5T1H | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [53] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .75E or .75E2 or .75E3 or :375E;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:161 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of CK2 | PDB:5KWH | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [54] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6XT or .6XT2 or .6XT3 or :36XT;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(2-{[4-(Dimethylcarbamoyl)phenyl]amino}-4-Methoxypyrimidin-5-Yl)thiophene-3-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Casein kinase 2 (CK2) bound to inhibitor | PDB:4GRB | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [55] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0XG or .0XG2 or .0XG3 or :30XG;style chemicals stick;color identity;select .A:43 or .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:120 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Acetamide, N-[2-[(2-aminoethyl)methylamino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]- | Ligand Info | |||||
| Structure Description | Crystal structure of CK2 with compound 7h | PDB:5H8E | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [19] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331 A
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5Y3 or .5Y32 or .5Y33 or :35Y3;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:156 or .A:158 or .A:160 or .A:161 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
3.893
GLY46
4.484
ARG47
3.816
GLY48
3.776
SER51
3.044
VAL53
3.571
VAL66
3.536
LYS68
3.062
GLU81
4.778
ILE95
3.628
PHE113
3.637
GLU114
3.231
|
|||||
| Ligand Name: 3-{5-(Acetylamino)-3-[3-Cyano-7-(Cyclopropylamino)pyrazolo[1,5-A]pyrimidin-5-Yl]-1h-Indol-1-Yl}propanoic Acid | Ligand Info | |||||
| Structure Description | Casein kinase 2 in complex with AZ-Inhibitor | PDB:3U4U | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [56] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVV
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LNH or .LNH2 or .LNH3 or :3LNH;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[5-({3-Cyano-7-[(1-Methyl-1h-Imidazol-4-Yl)amino]pyrazolo[1,5-A]pyrimidin-5-Yl}amino)-2-Methylphenyl]acetamide | Ligand Info | |||||
| Structure Description | Casein Kinase II bound to Inhibitor | PDB:4GUB | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [57] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0Y4 or .0Y42 or .0Y43 or :30Y4;style chemicals stick;color identity;select .A:43 or .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:53 or .A:55 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:161 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG43
4.348
LEU45
3.738
GLY46
4.237
ARG47
3.917
GLY48
3.871
SER51
3.933
VAL53
3.528
GLU55
3.422
VAL66
3.438
LYS68
2.934
GLU81
4.691
|
|||||
| Ligand Name: Naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid | Ligand Info | |||||
| Structure Description | Human CK2 catalytic domain in complex with a difurane derivative inhibitor (AMR) | PDB:3MB7 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [58] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .14I or .14I2 or .14I3 or :314I;style chemicals stick;color identity;select .A:45 or .A:46 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Naphtho[2,1-b:7,6-b']difuran-2,8-dicarboxylic acid | Ligand Info | |||||
| Structure Description | Human CK2 catalytic domain in complex with a difurane derivative inhibitor (CPA) | PDB:3MB6 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [58] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKDQ
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .01I or .01I2 or .01I3 or :301I;style chemicals stick;color identity;select .A:43 or .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Chloro-10-Methyl-11h-Benzo[g]pyrido[4,3-B]indol-3-Ol | Ligand Info | |||||
| Structure Description | Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor | PDB:3OWK | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [59] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .18E or .18E2 or .18E3 or :318E;style chemicals stick;color identity;select .A:45 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 9-Hydroxy-5,11-Dimethyl-4,6-Dihydro-1h-Pyrido[4,3-B]carbazol-1-One | Ligand Info | |||||
| Structure Description | Human CK2 catalytic domain in complex with a pyridocarbazole derivative inhibitor | PDB:3OWJ | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [59] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPRE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VKKKKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVKD
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1EL or .1EL2 or .1EL3 or :31EL;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:160 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 11-Chloro-8-Methyl-7h-Benzo[e]pyrido[4,3-B]indol-3-Ol | Ligand Info | |||||
| Structure Description | Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor | PDB:3OWL | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [59] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKDQ331
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .19E or .19E2 or .19E3 or :319E;style chemicals stick;color identity;select .A:45 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:163 or .A:174 or .A:175; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-[(1S,2S)-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of CK2 | PDB:5KU8 | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [60] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDRTPALVFE 114 HVNNTDFKQL124 YQTLTDYDIR134 FYMYEILKAL144 DYCHSMGIMH154 RDVKPHNVMI 164 DHEHRKLRLI174 DWGLAEFYHP184 GQEYNVRVAS194 RYFKGPELLV204 DYQMYDYSLD 214 MWSLGCMLAS224 MIFRKEPFFH234 GHDNYDQLVR244 IAKVLGTEDL254 YDYIDKYNIE 264 LDPRFNDILG274 RHSRKRWERF284 VHSENQHLVS294 PEALDFLDKL304 LRYDHQSRLT 314 AREAMEHPYF324 YTVVKDQA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6XK or .6XK2 or .6XK3 or :36XK;style chemicals stick;color identity;select .A:43 or .A:45 or .A:46 or .A:47 or .A:48 or .A:51 or .A:52 or .A:53 or .A:55 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG43
4.100
LEU45
3.839
GLY46
4.036
ARG47
3.469
GLY48
3.583
SER51
3.496
GLU52
4.859
VAL53
3.491
GLU55
4.468
VAL66
3.518
LYS68
3.496
|
|||||
| Ligand Name: 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile | Ligand Info | |||||
| Structure Description | Structure of Compound 17 bound to CK2alpha | PDB:8AEC | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LW3 or .LW32 or .LW33 or :3LW3;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:162 or .A:164 or .A:171 or .A:221 or .A:224 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Aminobenzoic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with Compound 6 bound | PDB:5CSV | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | Yes | [3] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GAB or .GAB2 or .GAB3 or :3GAB;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:116 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Homovanillic acid | Ligand Info | |||||
| Structure Description | Crystal structure of CK2alpha with ZT0583 bound. | PDB:5MOH | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | Yes | [22] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YTX or .YTX2 or .YTX3 or :3YTX;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Bromo-6-chloro-1H-indole | Ligand Info | |||||
| Structure Description | Structure of Compound 6 Bound to CK2alpha | PDB:7ZYD | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KD6 or .KD62 or .KD63 or :3KD6;style chemicals stick;color identity;select .A:121 or .A:124 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:162 or .A:164 or .A:171 or .A:221 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(5-bromo-1H-indol-3-yl)acetonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of compound 7 bound to CK2alpha | PDB:7ZY0 | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KC0 or .KC02 or .KC03 or :3KC0;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:162 or .A:164 or .A:171 or .A:221 or .A:224 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate | Ligand Info | |||||
| Structure Description | The Structure of CK2alpha with CCh503 bound | PDB:6FVF | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | Yes | [61] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .503 or .5032 or .5033 or :3503;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:41 or .A:47 or .A:51 or .A:52 or .A:54 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:108 or .A:110; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN36
2.802
ASP37
4.198
TYR39
3.205
LEU41
3.649
ARG47
3.707
SER51
4.083
GLU52
3.341
PHE54
4.626
VAL67
4.019
ILE69
3.149
LEU70
3.673
|
|||||
| Ligand Name: 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with Compound 2 bound to second crystal form | PDB:6YPG | ||||
| Method | X-ray diffraction | Resolution | 1.51 Å | Mutation | Yes | [21] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N5Q or .N5Q2 or .N5Q3 or :3N5Q;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:116 or .A:118 or .A:160 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-Bromoindole | Ligand Info | |||||
| Structure Description | Crystal structure of compound 7 bound to CK2alpha | PDB:7ZY2 | ||||
| Method | X-ray diffraction | Resolution | 1.51 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H4N or .H4N2 or .H4N3 or :3H4N;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:162 or .A:164 or .A:221 or .A:222 or .A:224 or .A:225 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [3-Chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium | Ligand Info | |||||
| Structure Description | The crystal structure of CK2alpha in complex with compound 11 | PDB:5OS8 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [25] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J27 or .J272 or .J273 or :3J27;style chemicals stick;color identity;select .A:47 or .A:51 or .A:52 or .A:54 or .A:69 or .A:70 or .A:71 or .A:72 or .A:103 or .A:105 or .A:106 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:171 or .A:221 or .A:222 or .A:225 or .A:282 or .A:285 or .A:290 or .A:291 or .A:292 or .A:293 or .A:294 or .A:295 or .A:298; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG47
4.624
SER51
4.910
GLU52
3.307
PHE54
4.619
ILE69
3.258
LEU70
3.824
LYS71
3.729
PRO72
3.292
ASP103
2.800
VAL105
4.109
SER106
3.738
THR119
4.874
PHE121
3.428
LEU124
3.755
TYR125
4.897
LEU128
3.558
ILE133
3.748
TYR136
3.648
MET137
3.792
|
|||||
| Ligand Name: N-[(2-Chlorobiphenyl-4-Yl)methyl]-Beta-Alanyl-N-(3-Carboxyphenyl)-Beta-Alaninamide | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with Compound 10 bound | PDB:5CU4 | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | Yes | [3] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .54S or .54S2 or .54S3 or :354S;style chemicals stick;color identity;select .A:45 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:116 or .A:118 or .A:121 or .A:124 or .A:125 or .A:128 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:174 or .A:175 or .A:176 or .A:221 or .A:225; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU45
4.706
VAL53
4.054
VAL66
3.822
LYS68
2.807
GLU81
4.608
ILE95
4.044
PHE113
3.229
VAL116
3.877
ASN118
2.874
PHE121
4.234
LEU124
3.779
TYR125
3.617
LEU128
4.111
ILE133
4.186
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-bromo-6-chloro-3-(2H-tetrazol-5-ylmethyl)-1H-indole | Ligand Info | |||||
| Structure Description | Compound 9 Bound to CK2alpha | PDB:7ZYO | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KEX or .KEX2 or .KEX3 or :3KEX;style chemicals stick;color identity;select .A:26 or .A:50 or .A:74 or .A:76 or .A:77 or .A:80 or .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:162 or .A:164 or .A:171 or .A:180 or .A:221 or .A:224 or .A:225 or .A:230; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR26
3.275
TYR50
4.180
ALA74
3.672
ALA76
3.850
LYS77
3.642
ARG80
3.495
PHE121
3.654
LEU124
4.234
TYR125
3.636
LEU128
3.890
ASP132
4.820
ILE133
3.979
|
|||||
| Ligand Name: [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate | Ligand Info | |||||
| Structure Description | The Structure of CK2alpha with CCh507 bound | PDB:6FVG | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [61] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8K or .E8K2 or .E8K3 or :3E8K;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:47 or .A:51 or .A:52 or .A:54 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:108 or .A:110; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN36
2.935
ASP37
4.869
TYR39
3.154
GLN40
4.966
LEU41
3.600
ARG47
4.683
SER51
4.557
GLU52
3.597
PHE54
4.848
VAL67
4.063
ILE69
3.643
|
|||||
| Ligand Name: 1-[3-Chloro-4-(trifluoromethoxy)phenyl]methanamine | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with Compound 5 bound | PDB:5CVF | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [3] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAKIKREIKI84 LENLRGGPNI94 ITLADIVKDP104 VSRTPALVFE 114 HVNNTDFKQL124 YQTLTDYDIR134 FYMYEILKAL144 DYCHSMGIMH154 RDVKPHNVMI 164 DHEHRKLRLI174 DWGLAEFYHP184 GQEYNVRVAS194 RYFKGPELLV204 DYQMYDYSLD 214 MWSLGCMLAS224 MIFRKEPFFH234 GHDNYDQLVR244 IAKVLGTEDL254 YDYIDKYNIE 264 LDPRFNDILG274 RHSRKRWERF284 VHSENQHLVS294 PEALDFLDKL304 LRYDHQSRLT 314 AREAMEHPYF324 YTVVK
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .54Z or .54Z2 or .54Z3 or :354Z;style chemicals stick;color identity;select .A:118 or .A:119 or .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:160 or .A:162 or .A:163 or .A:164 or .A:171 or .A:221 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with Compound 1 bound | PDB:6YPJ | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | Yes | [21] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P5W or .P5W2 or .P5W3 or :3P5W;style chemicals stick;color identity;select .A:45 or .A:46 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile | Ligand Info | |||||
| Structure Description | Structure of Compound 14 bound to CK2alpha | PDB:8AEK | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LVL or .LVL2 or .LVL3 or :3LVL;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:162 or .A:164 or .A:171 or .A:221 or .A:224 or .A:225; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-bromo-6-chloro-3-(1H-pyrrol-2-ylmethyl)-1H-indole | Ligand Info | |||||
| Structure Description | Compound 20 Bound to CK2alpha | PDB:7ZYR | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [2] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KF6 or .KF62 or .KF63 or :3KF6;style chemicals stick;color identity;select .A:121 or .A:124 or .A:125 or .A:128 or .A:132 or .A:133 or .A:136 or .A:137 or .A:140 or .A:159 or .A:162 or .A:164 or .A:171 or .A:221 or .A:224 or .A:225 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | Ligand Info | |||||
| Structure Description | Crystal Structure of CK2alpha with CAM187 bound | PDB:6GIH | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [62] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNKQLY125 QTLTDYDIRF135 YMYEILKALD145 YCHSMGIMHR155 DVKPHNVMID 165 HEHRKLRLID175 WGLAEFYHPG185 QEYNVRVASR195 YFKGPELLVD205 YQMYDYSLDM 215 WSLGCMLASM225 IFRKEPFFHG235 HDNYDQLVRI245 AKVLGTEDLY255 DYIDKYNIEL 265 DPRFNDILGR275 HSRKRWERFV285 HSENQHLVSP295 EALDFLDKLL305 RYDHQSRLTA 315 REAMEHPYFY325 TVVK
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EZN or .EZN2 or .EZN3 or :3EZN;style chemicals stick;color identity;select .A:36 or .A:37 or .A:39 or .A:40 or .A:41 or .A:67 or .A:69 or .A:101 or .A:102 or .A:103 or .A:106 or .A:108 or .A:109 or .A:110 or .A:112; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-Hydroxybenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of CK2alpha with ZT0627 bound | PDB:5MOT | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | Yes | [22] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPS21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVAAAKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVK
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HBD or .HBD2 or .HBD3 or :3HBD;style chemicals stick;color identity;select .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:53 or .A:66 or .A:68 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one | Ligand Info | |||||
| Structure Description | The Crystal structure of RO4613269 bound to CK2alpha | PDB:7A4Q | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | Yes | [63] |
| PDB Sequence |
GPVPSRARVY
12 TDVNTHRPSE22 YWDYESHVVE32 WGNQDDYQLV42 RKLGRGKYSE52 VFEAINITNN 62 EKVVVKILKP72 VAAAKIKREI82 KILENLRGGP92 NIITLADIVK102 DPVSRTPALV 112 FEHVNNTDFK122 QLYQTLTDYD132 IRFYMYEILK142 ALDYCHSMGI152 MHRDVKPHNV 162 MIDHEHRKLR172 LIDWGLAEFY182 HPGQEYNVRV192 ASRYFKGPEL202 LVDYQMYDYS 212 LDMWSLGCML222 ASMIFRKEPF232 FHGHDNYDQL242 VRIAKVLGTE252 DLYDYIDKYN 262 IELDPRFNDI272 LGRHSRKRWE282 RFVHSENQHL292 VSPEALDFLD302 KLLRYDHQSR 312 LTAREAMEHP322 YFYTVVK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QY2 or .QY22 or .QY23 or :3QY2;style chemicals stick;color identity;select .A:45 or .A:48 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:163 or .A:174 or .A:175 or .A:176; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (2s,3r,4r,5s,6r)-3-(Acetylamino)-4,5-Dihydroxy-6-(Hydroxymethyl)tetrahydro-2h-Thiopyran-2-Yl [(2r,3s,4r,5r)-5-(2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl Dihydrogen Diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate | PDB:4GYY | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [23] |
| PDB Sequence |
YPGGSTPVSS
22 ANMM
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .12V or .12V2 or .12V3 or :312V;style chemicals stick;color identity;select .B:18 or .B:19 or .B:20 or .B:21; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-(Acetylamino)-2-Deoxy-5-Thio-Beta-D-Glucopyranose | Ligand Info | |||||
| Structure Description | Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide | PDB:4GZ3 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [23] |
| PDB Sequence |
YPGGSTPVSS
22 ANMM
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0YT or .0YT2 or .0YT3 or :30YT;style chemicals stick;color identity;select .B:21; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-{[(2e)-4-Chlorobut-2-Enoyl]amino}-2-Deoxy-Beta-D-Glucopyranose | Ligand Info | |||||
| Structure Description | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase | PDB:5VIF | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [64] |
| PDB Sequence |
YPGGSTPVSS
22 AN
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9C1 or .9C12 or .9C13 or :39C1;style chemicals stick;color identity;select .B:21; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [(2S,3R,4R,5S,6R)-3-[[(E)-but-2-enoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)thian-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate | Ligand Info | |||||
| Structure Description | O-GlcNAc Transferase in complex with covalent inhibitor | PDB:6E37 | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [65] |
| PDB Sequence |
YPGGSTPVSS
22 AN
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HQV or .HQV2 or .HQV3 or :3HQV;style chemicals stick;color identity;select .B:18 or .B:19 or .B:20 or .B:21; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1,3-bis(chloranyl)-6-[(~{E})-(4-methoxyphenyl)iminomethyl]dibenzofuran-2,7-diol | Ligand Info | |||||
| Structure Description | Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive, tight-binding dibenzofuran inhibitor TF107 (5) | PDB:5N9K | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [44] |
| PDB Sequence |
SGPVPSRARV
11 YTDVNTHRPR21 EYWDYESHVV31 EWGNQDDYQL41 VRKLGRGKYS51 EVFEAINITN 61 NEKVVVKILK71 PVKKKKIKRE81 IKILENLRGG91 PNIITLADIV101 KDPVSRTPAL 111 VFEHVNNTDF121 KQLYQTLTDY131 DIRFYMYEIL141 KALDYCHSMG151 IMHRDVKPHN 161 VMIDHEHRKL171 RLIDWGLAEF181 YHPGQEYNVR191 VASRYFKGPE201 LLVDYQMYDY 211 SLDMWSLGCM221 LASMIFRKEP231 FFHGHDNYDQ241 LVRIAKVLGT251 EDLYDYIDKY 261 NIELDPRFND271 ILGRHSRKRW281 ERFVHSENQH291 LVSPEALDFL301 DKLLRYDHQS 311 RLTAREAMEH321 PYFYTVVKD
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8QK or .8QK2 or .8QK3 or :38QK;style chemicals stick;color identity;select .A:43 or .A:45 or .A:51 or .A:53 or .A:66 or .A:68 or .A:81 or .A:95 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:163 or .A:174 or .A:175 or .A:176; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human CK2Alpha at 1.06 ? resolution. J Synchrotron Radiat. 2013 Nov;20(Pt 6):974-9. | ||||
| REF 2 | A fragment-based approach leading to the discovery of inhibitors of CK2Alpha with a novel mechanism of action. RSC Med Chem. 2022 Sep 16;13(11):1420-1426. | ||||
| REF 3 | Specific inhibition of CK2Alpha from an anchor outside the active site. Chem Sci. 2016 Nov 1;7(11):6839-6845. | ||||
| REF 4 | CSNK2A1 bound to ERB-041 | ||||
| REF 5 | Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer. Biochemistry. 2011 Oct 4;50(39):8478-88. | ||||
| REF 6 | Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2-alpha. Acta Crystallogr F Struct Biol Commun. 2022 Oct 1;78(Pt 10):348-353. | ||||
| REF 7 | Unexpected CK2beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2. Bioorg Chem. 2020 Mar;96:103608. | ||||
| REF 8 | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem Commun (Camb). 2022 Apr 12;58(30):4791-4794. | ||||
| REF 9 | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J Phys Chem B. 2021 Mar 18;125(10):2491-2503. | ||||
| REF 10 | A promiscuous kinase inhibitor delineates the conspicuous structural features of protein kinase CK2a1. Acta Crystallogr F Struct Biol Commun. 2019 Jul 1;75(Pt 7):515-519. | ||||
| REF 11 | Crystal structure of human CK2 alpha complexed with apigenin | ||||
| REF 12 | Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid. Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3. | ||||
| REF 13 | Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin. FEBS J. 2020 May;287(9):1850-1864. | ||||
| REF 14 | Inhibitory Properties of ATP-Competitive Coumestrol and Boldine Are Correlated to Different Modulations of CK2 Flexibility. J Nat Prod. 2019 Apr 26;82(4):1014-1018. | ||||
| REF 15 | The catalytic subunit of human protein kinase CK2 structurally deviates from its maize homologue in complex with the nucleotide competitive inhibitor emodin. J Mol Biol. 2008 Mar 14;377(1):1-8. | ||||
| REF 16 | The protein kinase CK2(Andante) holoenzyme structure supports proposed models of autoregulation and trans-autophosphorylation. J Mol Biol. 2014 May 1;426(9):1871-82. | ||||
| REF 17 | The CK2 alpha/CK2 beta interface of human protein kinase CK2 harbors a binding pocket for small molecules. Chem Biol. 2008 Feb;15(2):111-7. | ||||
| REF 18 | Simultaneous CK2/TNIK/DYRK1 inhibition by 108600 suppresses triple negative breast cancer stem cells and chemotherapy-resistant disease. Nat Commun. 2021 Aug 3;12(1):4671. | ||||
| REF 19 | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. ACS Med Chem Lett. 2016 Jan 20;7(3):300-5. | ||||
| REF 20 | Structural basis of CX-4945 binding to human protein kinase CK2. FEBS Lett. 2011 Jan 3;585(1):104-10. | ||||
| REF 21 | Proposed Allosteric Inhibitors Bind to the ATP Site of CK2Alpha. J Med Chem. 2020 Nov 12;63(21):12786-12798. | ||||
| REF 22 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg Med Chem. 2017 Jul 1;25(13):3471-3482. | ||||
| REF 23 | Structural snapshots of the reaction coordinate for O-GlcNAc transferase. Nat Chem Biol. 2012 Dec;8(12):966-8. | ||||
| REF 24 | Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2Alpha and Its Paralog CK2Alpha'. Pharmaceuticals (Basel). 2017 Dec 13;10(4):98. | ||||
| REF 25 | Second-generation CK2Alpha inhibitors targeting the AlphaD pocket. Chem Sci. 2018 Feb 20;9(11):3041-3049. | ||||
| REF 26 | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J Med Chem. 2020 Jul 23;63(14):7766-7772. | ||||
| REF 27 | Molecular Plasticity of Crystalline CK2Alpha' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J Med Chem. 2022 Jan 27;65(2):1302-1312. | ||||
| REF 28 | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics. | ||||
| REF 29 | Metadynamics simulations of CK2 compound unbinding to understand slow dissociation kinetics. | ||||
| REF 30 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J Med Chem. 2017 May 25;60(10):4386-4402. | ||||
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| REF 32 | Design, synthesis and SAR studies of protein kinase CK2 inhibitors with a purine scaffold | ||||
| REF 33 | Structural insights for producing CK2Alpha1-specific inhibitors. Bioorg Med Chem Lett. 2020 Jan 15;30(2):126837. | ||||
| REF 34 | Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening | ||||
| REF 35 | A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase. Mol Cell Biochem. 2011 Oct;356(1-2):97-105. | ||||
| REF 36 | Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors. Bioorg Med Chem. 2016 Mar 1;24(5):1136-41. | ||||
| REF 37 | Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds. J Med Chem. 2012 Mar 22;55(6):2899-903. | ||||
| REF 38 | Identification of protein kinase CK2 inhibitors using solvent dipole ordering virtual screening | ||||
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| REF 40 | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur J Med Chem. 2020 Jun 1;195:112267. | ||||
| REF 41 | Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2 | ||||
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| REF 43 | Diacritic Binding of an Indenoindole Inhibitor by CK2Alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2Alpha' Structures. ACS Omega. 2019 Mar 19;4(3):5471-5478. | ||||
| REF 44 | A Pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals (Basel). 2018 Feb 17;11(1):23. | ||||
| REF 45 | Protein kinase CK2 inhibition is associated with the destabilization of HIF-1Alpha in human cancer cells. Cancer Lett. 2015 Jan 28;356(2 Pt B):751-61. | ||||
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| REF 47 | A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2Alpha Complex Structures. ACS Chem Biol. 2015 Jul 17;10(7):1654-60. | ||||
| REF 48 | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg Chem. 2018 Oct;80:266-275. | ||||
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| REF 52 | Disrupting the CK2alpha-CK2beta protein-protein interaction within the protein kinase CK2 heterotetramer using a fragment-based approach | ||||
| REF 53 | Crystal structure of CK2 | ||||
| REF 54 | Crystal structure of CK2 | ||||
| REF 55 | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo. ACS Med Chem Lett. 2013 Jul 3;4(8):800-5. | ||||
| REF 56 | Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization. ACS Med Chem Lett. 2012 Jan 24;3(4):278-83. | ||||
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| REF 59 | Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2. Cancer Res. 2010 Dec 1;70(23):9865-74. | ||||
| REF 60 | Crystal structure of CK2 | ||||
| REF 61 | Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors. Sci Rep. 2019 Nov 4;9(1):15893. | ||||
| REF 62 | Novel non-ATP competitive small molecules targeting the CK2 Alpha/beta interface. Bioorg Med Chem. 2018 Jul 15;26(11):3016-3020. | ||||
| REF 63 | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitor tool compounds | ||||
| REF 64 | Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase. Nat Chem Biol. 2017 Dec;13(12):1267-1273. | ||||
| REF 65 | Targeted covalent inhibition of O-GlcNAc transferase in cells. Chem Commun (Camb). 2019 Oct 31;55(88):13291-13294. | ||||
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