Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T80526 | Target Info | |||
| Target Name | Casein kinase II alpha prime (CSNK2A2) | ||||
| Synonyms | Casein kinase II subunit alpha'; CK2A2; CK II alpha' | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | CSNK2A2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Vitamin B3 | Ligand Info | |||||
| Structure Description | Crystal structure of CK2a2 form-2 | PDB:5YF9 | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [1] |
| PDB Sequence |
AGSRARVYAE
15 VNSLRSREYW25 DYEAHVPSWG35 NQDDYQLVRK45 LGEVFEAINI60 TNNERVVVKI 70 LKPVKKKKIK80 REVKILENLR90 GGTNIIKLID100 TVKDPVSKTP110 ALVFEYINNT 120 DFKQLYQILT130 DFDIRFYMYE140 LLKALDYCHS150 KGIMHRDVKP160 HNVMIDHQQK 170 KLRLIDWGLA180 EFYHPAQEYN190 VRVASRYFKG200 PELLVDYQMY210 DYSLDMWSLG 220 CMLASMIFRR230 EPFFHGQDNY240 DQLVRIAKVL250 GTEELYGYLK260 KYHIDLDPHF 270 NDILGQHSRK280 RWENFIHSEN290 RHLVSPEALD300 LLDKLLRYDH310 QQRLTAKEAM 320 EHPYFYPVV
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CX-4945 | Ligand Info | |||||
| Structure Description | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene product) IN COMPLEX WITH the inhibitor CX-4945 (Silmitasertib) | PDB:6HMB | ||||
| Method | X-ray diffraction | Resolution | 1.04 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQSQ
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LEU46
2.402
GLY47
2.473
ARG48
3.579
GLY49
4.886
GLU53
4.985
VAL54
2.693
VAL67
2.817
LYS69
1.896
GLU82
4.641
ILE96
2.388
PHE114
3.116
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| Ligand Name: ERB-041 | Ligand Info | |||||
| Structure Description | Human CSNK2A2 bound to ERB-041 | PDB:6QY8 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [3] |
| PDB Sequence |
SRARVYAEVN
17 SLRSREYWDY27 EAHVPSWGNQ37 DDYQLVRKLG47 RGKYSEVFEA57 INITNNERVV 67 VKILKKKKKI79 KREVKILENL89 RGGTNIIKLI99 DTVKDPVSKT109 PALVFEYINN 119 TDFKQLYQIL129 TDFDIRFYMY139 ELLKALDYCH149 SKGIMHRDVK159 PHNVMIDHQQ 169 KKLRLIDWGL179 AEFYHPAQEY189 NVRVASRYFK199 GPELLVDYQM209 YDYSLDMWSL 219 GCMLASMIFR229 REPFFHGQDN239 YDQLVRIAKV249 LGTEELYGYL259 KKYHIDLDPH 269 FNDILGQHSR279 KRWENFIHSE289 NRHLVSPEAL299 DLLDKLLRYD309 HQQRLTAKEA 319 MEHPYFYPVV329 K
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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:46 or .A:47 or .A:52 or .A:54 or .A:67 or .A:69 or .A:82 or .A:96 or .A:114 or .A:116 or .A:117 or .A:118 or .A:119 or .A:164 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: [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 catalytic subunit of human protein kinase CK2alpha prime with a potent indazole-derivative inhibitor | PDB:3E3B | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [4] |
| PDB Sequence |
MPGPAAGSRA
10 RVYAEVNSLR20 SREYWDYEAH30 VPSWGNQDDY40 QLVRKLGRGK50 YSEVFEAINI 60 TNNERVVVKI70 LKPVKKKKIK80 REVKILENLR90 GGTNIIKLID100 TVKDPVSKTP 110 ALVFEYINNT120 DFKQLYQILT130 DFDIRFYMYE140 LLKALDYCHS150 KGIMHRDVKP 160 HNVMIDHQQK170 KLRLIDWGLA180 EFYHPAQEYN190 VRVASRYFKG200 PELLVDYQMY 210 DYSLDMWSLG220 CMLASMIFRR230 EPFFHGQDNY240 DQLVRIAKVL250 GTEELYGYLK 260 KYHIDLDPHF270 NDILGQHSRK280 RWENFIHSEN290 RHLVSPEALD300 LLDKLLRYDH 310 QQRLTAKEAM320 EHPYFYPVVK330 EQSQ
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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 .X:44 or .X:46 or .X:47 or .X:48 or .X:54 or .X:67 or .X:69 or .X:82 or .X:96 or .X:114 or .X:115 or .X:116 or .X:117 or .X:118 or .X:119 or .X:161 or .X:164 or .X:175 or .X:176 or .X:177; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Hematine Bovine | Ligand Info | |||||
| Structure Description | Crystal structure of CK2a2 with hematein | PDB:6L20 | ||||
| Method | X-ray diffraction | Resolution | 3.09 Å | Mutation | No | [5] |
| PDB Sequence |
SRARVYAEVN
17 SLRSREYWDY27 EAHVPSWGNQ37 DDYQLVRKLE53 VFEAIRVVVK69 ILKPVKKKKI 79 KREVKILENL89 RGGTNIIKLI99 DTVKDPVSKT109 PALVFEYINN119 TDFKQLYQIL 129 TDFDIRFYMY139 ELLKALDYCH149 SKGIMHRDVK159 PHNVMIDHQQ169 KKLRLIDWGL 179 AEFYHPAQEY189 NVRVASRYFK199 GPELLVDYQM209 YDYSLDMWSL219 GCMLASMIFR 229 REPFFHGQDN239 YDQLVRIAKV249 LGTEELYGYL259 KKYHIDLDPH269 FNDILGQHSR 279 KRWENFIHSE289 NRHLVSPEAL299 DLLDKLLRYD309 HQQRLTAKEA319 MEHPYFYPVV 329 KEQ
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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:46 or .A:54 or .A:67 or .A:69 or .A:82 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:164 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: 4-{[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]amino}-2-hydroxybenzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3 | PDB:6TGU | ||||
| Method | X-ray diffraction | Resolution | 0.83 Å | Mutation | Yes | [6] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQS
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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 .N92 or .N922 or .N923 or :3N92;style chemicals stick;color identity;select .A:44 or .A:46 or .A:52 or .A:54 or .A:67 or .A:69 or .A:82 or .A:86 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:161 or .A:164 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
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| Ligand Name: 3-(4-Pyridin-2-yl-thiazol-2-ylamino)-benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17 | PDB:6TE2 | ||||
| Method | X-ray diffraction | Resolution | 0.92 Å | Mutation | Yes | [6] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQS
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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 .N4N or .N4N2 or .N4N3 or :3N4N;style chemicals stick;color identity;select .A:46 or .A:47 or .A:54 or .A:67 or .A:69 or .A:82 or .A:86 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:161 or .A:164 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: 3-(4,5,6,7-Tetrabromo-1h-Benzotriazol-1-Yl)propan-1-Ol | Ligand Info | |||||
| Structure Description | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002 | PDB:6HMQ | ||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQS
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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:46 or .A:47 or .A:54 or .A:67 or .A:69 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:119 or .A:160 or .A:161 or .A:162 or .A:164 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: 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 (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | PDB:7ATV | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [7] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQSQ
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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 .RXE or .RXE2 or .RXE3 or :3RXE;style chemicals stick;color identity;select .A:46 or .A:47 or .A:54 or .A:67 or .A:69 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:119 or .A:120 or .A:122 or .A:126 or .A:129 or .A:133 or .A:134 or .A:137 or .A:138 or .A:141 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:165 or .A:172 or .A:175 or .A:176 or .A:222 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU46
2.678
GLY47
2.786
VAL54
2.654
VAL67
2.929
LYS69
4.875
ILE96
3.005
PHE114
3.594
GLU115
3.195
TYR116
3.919
ILE117
2.915
ASN119
2.107
THR120
4.926
PHE122
2.917
TYR126
1.900
LEU129
2.786
ASP133
4.622
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| Ligand Name: 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-imidazo[4,5-b]pyridine | PDB:7A2H | ||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | No | [8] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKE
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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 .QX2 or .QX22 or .QX23 or :3QX2;style chemicals stick;color identity;select .A:46 or .A:47 or .A:54 or .A:67 or .A:69 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:119 or .A:164 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: 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' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6,7-tribromo-1H-triazolo[4,5-b]pyridine | PDB:7A22 | ||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | No | [8] |
| PDB Sequence |
AGSRARVYAE
15 VNSLRSREYW25 DYEAHVPSWG35 NQDDYQLVRK45 LGRGKYSEVF55 EAINITNNER 65 VVVKILKPVK75 KKKIKREVKI85 LENLRGGTNI95 IKLIDTVKDP105 VSKTPALVFE 115 YINNTDFKQL125 YQILTDFDIR135 FYMYELLKAL145 DYCHSKGIMH155 RDVKPHNVMI 165 DHQQKKLRLI175 DWGLAEFYHP185 AQEYNVRVAS195 RYFKGPELLV205 DYQMYDYSLD 215 MWSLGCMLAS225 MIFRREPFFH235 GQDNYDQLVR245 IAKVLGTEEL255 YGYLKKYHID 265 LDPHFNDILG275 QHSRKRWENF285 IHSENRHLVS295 PEALDLLDKL305 LRYDHQQRLT 315 AKEAMEHPYF325 YPVVKEQS
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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:46 or .A:47 or .A:54 or .A:67 or .A:69 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:119 or .A:161 or .A:164 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: 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' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 6-bromo-5-chloro-1H-triazolo[4,5-b]pyridine | PDB:7A1Z | ||||
| Method | X-ray diffraction | Resolution | 1.02 Å | Mutation | No | [8] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQSQ
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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:46 or .A:54 or .A:67 or .A:69 or .A:82 or .A:86 or .A:96 or .A:112 or .A:114 or .A:115 or .A:116 or .A:117 or .A:164 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
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| 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 | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 | PDB:6HMC | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQS
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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:46 or .A:47 or .A:48 or .A:49 or .A:52 or .A:54 or .A:67 or .A:69 or .A:82 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:161 or .A:162 or .A:164 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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LEU46
2.426
GLY47
2.624
ARG48
4.526
GLY49
3.655
SER52
2.306
VAL54
2.397
VAL67
2.752
LYS69
2.106
GLU82
4.911
ILE96
2.180
PHE114
3.035
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| Ligand Name: 2-(3,4-Dichlorophenyl)ethanamine | Ligand Info | |||||
| Structure Description | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine | PDB:7AT9 | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [7] |
| PDB Sequence |
AGSRARVYAE
15 VNSLRSREYW25 DYEAHVPSWG35 NQDDYQLVRK45 LGRGKYSEVF55 EAINITNNER 65 VVVKILKPVK75 KKKIKREVKI85 LENLRGGTNI95 IKLIDTVKDP105 VSKTPALVFE 115 YINNTDFKQL125 YQILTDFDIR135 FYMYELLKAL145 DYCHSKGIMH155 RDVKPHNVMI 165 DHQQKKLRLI175 DWGLAEFYHP185 AQEYNVRVAS195 RYFKGPELLV205 DYQMYDYSLD 215 MWSLGCMLAS225 MIFRREPFFH235 GQDNYDQLVR245 IAKVLGTEEL255 YGYLKKYHID 265 LDPHFNDILG275 QHSRKRWENF285 IHSENRHLVS295 PEALDLLDKL305 LRYDHQQRLT 315 AKEAMEHPYF325 YPVVKEQS
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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 .42J or .42J2 or .42J3 or :342J;style chemicals stick;color identity;select .A:46 or .A:47 or .A:48 or .A:54 or .A:119 or .A:120 or .A:122 or .A:129 or .A:133 or .A:134 or .A:137 or .A:138 or .A:141 or .A:157 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:165 or .A:172 or .A:175 or .A:176 or .A:222 or .A:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU46
2.735
GLY47
2.674
ARG48
4.413
VAL54
3.628
ASN119
3.245
THR120
4.844
PHE122
2.726
LEU129
2.760
ASP133
4.609
ILE134
3.027
TYR137
2.863
MET138
2.988
LEU141
3.301
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|||||
| Ligand Name: 2-hydroxy-4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 27 | PDB:6TEW | ||||
| Method | X-ray diffraction | Resolution | 1.08 Å | Mutation | Yes | [6] |
| PDB Sequence |
SRARVYAEVN
17 SLRSREYWDY27 EAHVPSWGNQ37 DDYQLVRKLG47 RGKYSEVFEA57 INITNNERVV 67 VKILKPVKKK77 KIKREVKILE87 NLRGGTNIIK97 LIDTVKDPVS107 KTPALVFEYI 117 NNTDFKQLYQ127 ILTDFDIRFY137 MYELLKALDY147 CHSKGIMHRD157 VKPHNVMIDH 167 QQKKLRLIDW177 GLAEFYHPAQ187 EYNVRVASRY197 FKGPELLVDY207 QMYDYSLDMW 217 SLGCMLASMI227 FRREPFFHGQ237 DNYDQLVRIA247 KVLGTEELYG257 YLKKYHIDLD 267 PHFNDILGQH277 SRKRWENFIH287 SENRHLVSPE297 ALDLLDKLLR307 YDHQQRLTAK 317 EAMEHPYFYP327 VVKEQ
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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 .N5Q or .N5Q2 or .N5Q3 or :3N5Q;style chemicals stick;color identity;select .A:46 or .A:47 or .A:48 or .A:49 or .A:52 or .A:54 or .A:67 or .A:69 or .A:82 or .A:86 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:119 or .A:161 or .A:164 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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LEU46
2.825
GLY47
2.620
ARG48
2.721
GLY49
4.911
SER52
4.653
VAL54
2.250
VAL67
2.176
LYS69
1.921
GLU82
4.674
LEU86
4.929
ILE96
2.456
|
|||||
| Ligand Name: 5,6-dibromo-1H-triazolo[4,5-b]pyridine | Ligand Info | |||||
| Structure Description | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine | PDB:7A1B | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | Yes | [8] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQS
|
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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:46 or .A:54 or .A:67 or .A:69 or .A:82 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:164 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
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| Ligand Name: Keratinocyte Differentiation Inducer | Ligand Info | |||||
| Structure Description | Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor | PDB:6QY9 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [9] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQSQP
|
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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 .JL2 or .JL22 or .JL23 or :3JL2;style chemicals stick;color identity;select .A:44 or .A:46 or .A:47 or .A:48 or .A:49 or .A:52 or .A:53 or .A:54 or .A:67 or .A:69 or .A:96 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:162 or .A:164 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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ARG44
3.410
LEU46
3.829
GLY47
3.724
ARG48
3.073
GLY49
3.244
SER52
3.041
GLU53
3.663
VAL54
3.340
VAL67
3.704
LYS69
4.547
ILE96
4.056
PHE114
4.168
|
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| 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 | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | PDB:5OOI | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [10] |
| PDB Sequence |
AAGSRARVYA
14 EVNSLRSREY24 WDYEAHVPSW34 GNQDDYQLVR44 KLGRGKYSEV54 FEAINITNNE 64 RVVVKILKPV74 KKKKIKREVK84 ILENLRGGTN94 IIKLIDTVKD104 PVSKTPALVF 114 EYINNTDFKQ124 LYQILTDFDI134 RFYMYELLKA144 LDYCHSKGIM154 HRDVKPHNVM 164 IDHQQKKLRL174 IDWGLAEFYH184 PAQEYNVRVA194 SRYFKGPELL204 VDYQMYDYSL 214 DMWSLGCMLA224 SMIFRREPFF234 HGQDNYDQLV244 RIAKVLGTEE254 LYGYLKKYHI 264 DLDPHFNDIL274 GQHSRKRWEN284 FIHSENRHLV294 SPEALDLLDK304 LLRYDHQQRL 314 TAKEAMEHPY324 FYPVVKEQS
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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:44 or .A:46 or .A:47 or .A:48 or .A:49 or .A:52 or .A:54 or .A:67 or .A:69 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:161 or .A:162 or .A:164 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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ARG44
4.001
LEU46
3.649
GLY47
3.622
ARG48
3.376
GLY49
3.764
SER52
3.803
VAL54
3.621
VAL67
3.655
LYS69
2.891
ILE96
3.638
PHE114
3.496
|
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| Ligand Name: 4-[6,8-Bis(Chloranyl)-3-Oxidanyl-4-Oxidanylidene-Chromen-2-Yl]benzoic Acid | Ligand Info | |||||
| Structure Description | ORTHORHOMBIC COMPLEX STRUCTURE OF HUMAN PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') WITH THE INHIBITOR 4'-CARBOXY-6,8-CHLORO- FLAVONOL (FLC21) | PDB:5M4U | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | Yes | [11] |
| PDB Sequence |
GPAAGSRARV
12 YAEVNSLRSR22 EYWDYEAHVP32 SWGNQDGYQL42 VRKLGRGKYS52 EVFEAINITN 62 NERVVVKILK72 PVKKKKIKRE82 VKILENLRGG92 TNIIKLIDTV102 KDPVSKTPAL 112 VFEYINNTDF122 KQLYQILTDF132 DIRFYMYELL142 KALDYCHSKG152 IMHRDVKPHN 162 VMIDHQQKKL172 RLIDWGLAEF182 YHPAQEYNVR192 VASRYFKGPE202 LLVDYQMYDY 212 SLDMWSLGCM222 LASMIFRREP232 FFHGQDNYDQ242 LVRIAKVLGT252 EELYGYLKKY 262 HIDLDPHFND272 ILGQHSRKRW282 ENFIHSENRH292 LVSPEALDLL302 DKLLRYDHQQ 312 RLTAKEAMEH322 PYFYPVVKEQ332 SQ
|
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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:46 or .A:47 or .A:48 or .A:54 or .A:67 or .A:69 or .A:82 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:164 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione | Ligand Info | |||||
| Structure Description | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR AR18 | PDB:6HMD | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSRARVYAEV
16 NSLRSREYWD26 YEAHVPSWGN36 QDDYQLVRKL46 GRGKYSEVFE56 AINITNNERV 66 VVKILKPVKK76 KKIKREVKIL86 ENLRGGTNII96 KLIDTVKDPV106 SKTPALVFEY 116 INNTDFKQLY126 QILTDFDIRF136 YMYELLKALD146 YCHSKGIMHR156 DVKPHNVMID 166 HQQKKLRLID176 WGLAEFYHPA186 QEYNVRVASR196 YFKGPELLVD206 YQMYDYSLDM 216 WSLGCMLASM226 IFRREPFFHG236 QDNYDQLVRI246 AKVLGTEELY256 GYLKKYHIDL 266 DPHFNDILGQ276 HSRKRWENFI286 HSENRHLVSP296 EALDLLDKLL306 RYDHQQRLTA 316 KEAMEHPYFY326 PVVKEQSQ
|
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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 .GDW or .GDW2 or .GDW3 or :3GDW;style chemicals stick;color identity;select .A:46 or .A:47 or .A:48 or .A:49 or .A:52 or .A:54 or .A:67 or .A:69 or .A:82 or .A:96 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:122 or .A:161 or .A:162 or .A:164 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
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LEU46
2.177
GLY47
3.696
ARG48
4.835
GLY49
4.015
SER52
2.924
VAL54
2.288
VAL67
2.686
LYS69
1.944
GLU82
4.569
ILE96
2.098
PHE114
2.625
GLU115
2.489
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of human CK2Alpha2 in new crystal forms arising from a subtle difference in salt concentration. Acta Crystallogr F Struct Biol Commun. 2018 May 1;74(Pt 5):288-293. | ||||
| REF 2 | 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 3 | CSNK2A1 bound to ERB-041 | ||||
| REF 4 | Structure of human protein kinase CK2 alpha 2 with a potent indazole-derivative inhibitor. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 Feb 1;65(Pt 2):75-9. | ||||
| REF 5 | Structural insights for producing CK2Alpha1-specific inhibitors. Bioorg Med Chem Lett. 2020 Jan 15;30(2):126837. | ||||
| REF 6 | 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 7 | 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 8 | Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase. Bioorg Chem. 2021 Jan;106:104502. | ||||
| REF 9 | Human CSNK2A2 bound to a Pyrrolo[2,3-d]pyrimidinyl inhibitor | ||||
| REF 10 | 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 11 | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals (Basel). 2017 Jan 11;10(1):9. | ||||
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