Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T29728 | Target Info | |||
| Target Name | Casein kinase I gamma-3 (CSNK1G3) | ||||
| Synonyms | Casein kinase I isoform gamma-3; CKI-gamma 3 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CSNK1G3 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cdk1/2 inhibitor III | Ligand Info | |||||
| Structure Description | Structure of casein kinase 1 gamma 3 | PDB:2CHL | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
VLMVGPNFRV
45 GKKIGCGNFG55 ELRLGKNLYT65 NEYVAIKLEP75 MKSRAPQLHL85 EYRFYKQLGS 95 GDGIPQVYYF105 GPCGKYNAMV115 LELLGPSLED125 LFDLCDRTFS135 LKTVLMIAIQ 145 LISRMEYVHS155 KNLIYRDVKP165 ENFLIGRPGN175 KTQQVIHIID185 FALAKEYIDP 195 ETKKHIPYRE205 HKSLTGTARY215 MSINTHLGKE225 QSRRDDLEAL235 GHMFMYFLRG 245 SLPWQGLKAD255 TLKERYQKIG265 DTKRATPIEV275 LCENFPEMAT285 YLRYVRRLDF 295 FEKPDYDYLR305 KLFTDLFDRK315 GYMFDYEYDW325 IGKQLPTP
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| Ligand Name: Purvalanol A | Ligand Info | |||||
| Structure Description | Structure of casein kinase gamma 3 in complex with inhibitor | PDB:2IZU | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [2] |
| PDB Sequence |
VLMVGPNFRV
45 GKKIGCFGEL57 RLGKNLYTNE67 YVAIKLEPMK77 SRAPQLHLEY87 RFYKQLGSGD 97 GIPQVYYFGP107 CGKYNAMVLE117 LLGPSLEDLF127 DLCDRTFSLK137 TVLMIAIQLI 147 SRMEYVHSKN157 LIYRDVKPEN167 FLIGRPGNKT177 QQVIHIIDFA187 LAKEYIDPET 197 KKHIPYREHK207 SLTGTARYMS217 INTHLGKEQS227 RRDDLEALGH237 MFMYFLRGSL 247 PWQGLKADTL257 KERYQKIGDT267 KRATPIEVLC277 ENFPEMATYL287 RYVRRLDFFE 297 KPDYDYLRKL307 FTDLFDRKGY317 MFDYEYDWIG327 KQLPTPV
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ILE49
3.602
GLY50
3.748
CYS51
4.150
LEU57
3.462
ALA70
3.579
LYS72
4.794
TYR90
4.030
PRO100
3.875
LEU116
3.776
GLU117
3.167
LEU118
3.894
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| Ligand Name: {(2z)-4-Amino-2-[(4-Methoxyphenyl)imino]-2,3-Dihydro-1,3-Thiazol-5-Yl}(4-Methoxyphenyl)methanone | Ligand Info | |||||
| Structure Description | Structure of casein kinase gamma 3 in complex with inhibitor | PDB:2IZR | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [3] |
| PDB Sequence |
VLMVGPNFRV
45 GKKIGCNFGE56 LRLGKNLYTN66 EYVAIKLEPM76 KSRAPQLHLE86 YRFYKQLGSG 96 DGIPQVYYFG106 PCGKYNAMVL116 ELLGPSLEDL126 FDLCDRTFSL136 KTVLMIAIQL 146 ISRMEYVHSK156 NLIYRDVKPE166 NFLIGRPGNK176 TQQVIHIIDF186 ALAKEYIDPE 196 TKKHIPYREH206 KSLTGTARYM216 SINTHLGKEQ226 SRRDDLEALG236 HMFMYFLRGS 246 LPWQGLKADT256 LKERYQKIGD266 TKRATPIEVL276 CENFPEMATY286 LRYVRRLDFF 296 EKPDYDYLRK306 LFTDLFDRKG316 YMFDYEYDWI326 GKQLPTPV
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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 .BRK or .BRK2 or .BRK3 or :3BRK;style chemicals stick;color identity;select .A:49 or .A:50 or .A:53 or .A:57 or .A:70 or .A:72 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:125 or .A:169 or .A:184 or .A:331 or .A:332 or .A:333; 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-(2-Azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol | Ligand Info | |||||
| Structure Description | Human CSNK1G3 bound to SB-223133 | PDB:6GRO | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [4] |
| PDB Sequence |
LMVGPNFRVG
46 KKIGCGNFGE56 LRLGKNLYTN66 EYVAIKLEPM76 KSRAPQLHLE86 YRFYKQLGSG 96 DGIPQVYYFG106 PCGKYNAMVL116 ELLGPSLEDL126 FDLCDRTFSL136 KTVLMIAIQL 146 ISRMEYVHSK156 NLIYRDVKPE166 NFLIGRPGNK176 TQQVIHIIDF186 ALAKEYIDPE 196 TKKHIPYREH206 KSLTGTARYM216 SINTHLGKEQ226 SRRDDLEALG236 HMFMYFLRGS 246 LPWQGLKADT256 LKERYQKIGD266 TKRATPIEVL276 CENFPEMATY286 LRYVRRLDFF 296 EKPDYDYLRK306 LFTDLFDRKG316 YMFDYEYDWI326 GKQ
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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 .F92 or .F922 or .F923 or :3F92;style chemicals stick;color identity;select .A:49 or .A:50 or .A:51 or .A:52 or .A:57 or .A:70 or .A:71 or .A:72 or .A:86 or .A:90 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:122 or .A:125 or .A:166 or .A:169 or .A:184; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE49
4.010
GLY50
4.373
CYS51
4.030
GLY52
4.885
LEU57
2.868
ALA70
3.568
ILE71
3.807
LYS72
3.306
GLU86
4.930
TYR90
4.553
MET114
3.129
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| Ligand Name: {[4-Amino-2-(3-chloroanilino)-1,3-thiazol-5-YL](4-fluorophenyl)methanone | Ligand Info | |||||
| Structure Description | Structure of casein kinase gamma 3 in complex with inhibitor | PDB:2IZS | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [5] |
| PDB Sequence |
VLMVGPNFRV
45 GKKIGCGNFG55 ELRLGKNLYT65 NEYVAIKLEP75 MKSRAPQLHL85 EYRFYKQLGS 95 GDGIPQVYYF105 GPCGKYNAMV115 LELLGPSLED125 LFDLCDRTFS135 LKTVLMIAIQ 145 LISRMEYVHS155 KNLIYRDVKP165 ENFLIGRPGN175 KTQQVIHIID185 FALAKEYIDP 195 ETKKHIPYRE205 HKSLTGTARY215 MSINTHLGKE225 QSRRDDLEAL235 GHMFMYFLRG 245 SLPWQGLKAD255 TLKERYQKIG265 DTKRATPIEV275 LCENFPEMAT285 YLRYVRRLDF 295 FEKPDYDYLR305 KLFTDLFDRK315 GYMFDYEYDW325 IGKQLPTP
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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 .BRQ or .BRQ2 or .BRQ3 or :3BRQ;style chemicals stick;color identity;select .A:49 or .A:50 or .A:53 or .A:57 or .A:70 or .A:72 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:125 or .A:169 or .A:184 or .A:331 or .A:332 or .A:333; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N2-[(1R,2S)-2-Aminocyclohexyl]-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine | Ligand Info | |||||
| Structure Description | Structure of casein kinase gamma 3 in complex with inhibitor | PDB:2IZT | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [6] |
| PDB Sequence |
LMVGPNFRVG
46 KKIGCFGELR58 LGKNLYTNEY68 VAIKLEPMKS78 RAPQLHLEYR88 FYKQLGSGDG 98 IPQVYYFGPC108 GKYNAMVLEL118 LGPSLEDLFD128 LCDRTFSLKT138 VLMIAIQLIS 148 RMEYVHSKNL158 IYRDVKPENF168 LIGRPGNKTQ178 QVIHIIDFAL188 AKEYIDPETK 198 KHIPYREHKS208 LTGTARYMSI218 NTHLGKEQSR228 RDDLEALGHM238 FMYFLRGSLP 248 WQGLKADTLK258 ERYQKIGDTK268 RATPIEVLCE278 NFPEMATYLR288 YVRRLDFFEK 298 PDYDYLRKLF308 TDLFDRKGYM318 FDYEYDWIGK328 QLPTPV
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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 .23D or .23D2 or .23D3 or :323D;style chemicals stick;color identity;select .A:49 or .A:57 or .A:70 or .A:72 or .A:90 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:166 or .A:169 or .A:184 or .A:331 or .A:332 or .A:333; 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-[(4-Tert-Butylphenyl)amino]-1h-Benzimidazole-6-Carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of ck1g3 with 2-[(4-TERT-BUTYLPHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE | PDB:4G17 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
GSGVLMVGPN
42 FRVGKKIGCG52 NFGELRLGKN62 LYTNEYVAIK72 LEPMKSRAPQ82 LHLEYRFYKQ 92 LGSGDGIPQV102 YYFGPCGKYN112 AMVLELLGPS122 LEDLFDLCDR132 TFSLKTVLMI 142 AIQLISRMEY152 VHSKNLIYRD162 VKPENFLIGR172 PGNKTQQVIH182 IIDFGLAKEY 192 IDPETKKHIP202 YREHKSLTGT212 ARYMSINTHL222 GKEQSRRDDL232 EALGHMFMYF 242 LRGSLPWQGL252 KADTLKERYQ262 KIGDTKRATP272 IEVLCENFPE282 MATYLRYVRR 292 LDFFEKPDYD302 YLRKLFTDLF312 DRKGYMFDYE322 YDWIGKQLPT332 PV |
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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 .0VN or .0VN2 or .0VN3 or :30VN;style chemicals stick;color identity;select .A:49 or .A:50 or .A:51 or .A:57 or .A:70 or .A:72 or .A:86 or .A:90 or .A:100 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:125 or .A:169 or .A:184 or .A:185 or .A:331 or .A:332 or .A:333; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE49
3.972
GLY50
3.317
CYS51
4.627
LEU57
3.685
ALA70
3.650
LYS72
4.344
GLU86
4.977
TYR90
4.916
PRO100
4.904
LEU116
3.425
GLU117
3.089
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| Ligand Name: 2-[(4-{[3-(Trifluoromethyl)pyridin-2-Yl]oxy}phenyl)amino]-1h-Benzimidazole-6-Carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of ck1g3 with 2-[(4-{[3-(TRIFLUOROMETHYL)PYRIDIN2-YL]OXY}PHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE | PDB:4G16 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [7] |
| PDB Sequence |
GSGVLMVGPN
42 FRVGKKIGCG52 NFGELRLGKN62 LYTNEYVAIK72 LEPMKSRAPQ82 LHLEYRFYKQ 92 LGSGDGIPQV102 YYFGPCGKYN112 AMVLELLGPS122 LEDLFDLCDR132 TFSLKTVLMI 142 AIQLISRMEY152 VHSKNLIYRD162 VKPENFLIGR172 PGNKTQQVIH182 IIDFGLAKEY 192 IDPETKKHIP202 YREHKSLTGT212 ARYMSINTHL222 GKEQSRRDDL232 EALGHMFMYF 242 LRGSLPWQGL252 KADTLKERYQ262 KIGDTKRATP272 IEVLCENFPE282 MATYLRYVRR 292 LDFFEKPDYD302 YLRKLFTDLF312 DRKGYMFDYE322 YDWIGKQLPT332 PV |
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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 .0VM or .0VM2 or .0VM3 or :30VM;style chemicals stick;color identity;select .A:49 or .A:50 or .A:57 or .A:70 or .A:72 or .A:86 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:125 or .A:169 or .A:184 or .A:185 or .A:331 or .A:332 or .A:333; 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-Methoxy-2-(Quinolin-3-Yl)pyrimidin-4-Yl]-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of ck1g3 with compound 1 | PDB:4HGL | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [8] |
| PDB Sequence |
GSGVLMVGPN
42 FRVGKKIGCG52 NFGELRLGKN62 LYTNEYVAIK72 LEPMKSRAPQ82 LHLEYRFYKQ 92 LGSGDGIPQV102 YYFGPCGKYN112 AMVLELLGPS122 LEDLFDLCDR132 TFSLKTVLMI 142 AIQLISRMEY152 VHSKNLIYRD162 VKPENFLIGR172 PGNKTQQVIH182 IIDFGLAKEY 192 IDPETKKHIP202 YREHKSLTGT212 ARYMSINTHL222 GKEQSRRDDL232 EALGHMFMYF 242 LRGSLPWQGL252 KADTLKERYQ262 KIGDTKRATP272 IEVLCENFPE282 MATYLRYVRR 292 LDFFEKPDYD302 YLRKLFTDLF312 DRKGYMFDYE322 YDWIGKQLPT332 PV |
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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 .0YO or .0YO2 or .0YO3 or :30YO;style chemicals stick;color identity;select .A:49 or .A:50 or .A:53 or .A:56 or .A:57 or .A:70 or .A:72 or .A:86 or .A:90 or .A:100 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:169 or .A:184 or .A:185 or .A:186 or .A:331 or .A:332 or .A:333; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE49
4.409
GLY50
3.637
ASN53
4.658
GLU56
4.207
LEU57
3.513
ALA70
3.733
LYS72
2.845
GLU86
3.249
TYR90
4.851
PRO100
3.194
LEU116
3.654
GLU117
3.071
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| Ligand Name: 2-{2-[(3,4-Difluorophenoxy)methyl]-5-Methoxypyridin-4-Yl}-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of ck1gs with compound 13 | PDB:4HGS | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [9] |
| PDB Sequence |
GSGVLMVGPN
42 FRVGKKIGCG52 NFGELRLGKN62 LYTNEYVAIK72 LEPMKSRAPQ82 LHLEYRFYKQ 92 LGSGDGIPQV102 YYFGPCGKYN112 AMVLELLGPS122 LEDLFDLCDR132 TFSLKTVLMI 142 AIQLISRMEY152 VHSKNLIYRD162 VKPENFLIGR172 PGNKTQQVIH182 IIDFGLAKEY 192 IDPETKKHIP202 YREHKSLTGT212 ARYMSINTHL222 GKEQSRRDDL232 EALGHMFMYF 242 LRGSLPWQGL252 KADTLKERYQ262 KIGDTKRATP272 IEVLCENFPE282 MATYLRYVRR 292 LDFFEKPDYD302 YLRKLFTDLF312 DRKGYMFDYE322 YDWIGKQLPT332 PV |
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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 .15G or .15G2 or .15G3 or :315G;style chemicals stick;color identity;select .A:49 or .A:50 or .A:53 or .A:57 or .A:70 or .A:72 or .A:86 or .A:90 or .A:100 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:167 or .A:169 or .A:184 or .A:185 or .A:331 or .A:332 or .A:333; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE49
3.975
GLY50
3.817
ASN53
4.412
LEU57
3.315
ALA70
3.437
LYS72
2.745
GLU86
3.860
TYR90
3.911
PRO100
3.832
LEU116
3.326
GLU117
3.247
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of Casein Kinase 1 Gamma 3 | ||||
| REF 2 | Inhibitor Binding by Casein Kinases | ||||
| REF 3 | Inhibitor Binding by Casein Kinases | ||||
| REF 4 | CSNK1G3 bound to SB-223133 | ||||
| REF 5 | Inhibitor Binding by Casein Kinases | ||||
| REF 6 | Inhibitor Binding by Casein Kinases | ||||
| REF 7 | 2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1) inhibitors. Bioorg Med Chem Lett. 2012 Sep 1;22(17):5392-5. | ||||
| REF 8 | Structure-Based Design of Potent and Selective CK1gamma Inhibitors. ACS Med Chem Lett. 2012 Oct 18;3(12):1059-64. | ||||
| REF 9 | Crystal structure of ck1gs with compound 13 | ||||
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