Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T00043 | Target Info | |||
| Target Name | HUMAN cyclin G-associated kinase (GAK) | ||||
| Synonyms | cyclin G associated kinase | ||||
| Gene Name | GAK | ||||
| Biochemical Class | Ser/Thr protein kinase family | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Gefitinib | Ligand Info | |||||
| Structure Description | Complex structure of cyclin G-associated kinase with gefitinib | PDB:5Y80 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [1] |
| PDB Sequence |
SQSDFVGQTV
33 ELGELRLRVR43 RVLAEGGFAF53 VYEAQDVGSG63 REYALKRLLS73 NEEEKNRAII 83 QEVCFMKKLS93 GHPNIVQFCS103 AASIGKEESD113 TGQAEFLLLT123 ELCKGQLVEF 133 LKKMGPLSCD146 TVLKIFYQTC156 RAVQHMHRQK166 PPIIHRDLKV176 ENLLLSNQGT 186 IKLCDFGSAT196 TISHYPDYSW206 SAQRRALVEE216 EITRNTTPMY226 RTPEIIDLYS 236 NFPIGEKQDI246 WALGCILYLL256 CFRQHPFEDG266 AKLRIVNGKY276 SIPPHDTQYT 286 VFHSLIRAML296 QVNPEERLSI306 AEVVHQLQEI316 AAARNVNPKS326 PITELL |
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ARG44
4.748
LEU46
3.283
ALA47
4.210
VAL54
3.770
ALA67
3.600
LEU68
4.709
LYS69
3.329
GLU77
4.492
LYS78
4.324
ALA81
3.668
GLU85
3.480
VAL99
4.868
LEU121
4.040
THR123
3.994
GLU124
3.464
LEU125
3.700
CYS126
3.060
LYS127
3.393
GLY128
3.470
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-Methoxy-4-[3-(Morpholin-4-Yl)[1,2]thiazolo[4,3-B]pyridin-6-Yl]aniline | Ligand Info | |||||
| Structure Description | Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor | PDB:4Y8D | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
DFVGQTVELG
36 ELRLRVRRVL46 AEGGFAFVYE56 AQDVGSGREY66 ALKRLLSNEE76 EKNRAIIQEV 86 CFMKKLSGHP96 NIVQFCSAAS106 IGKEESDTGQ116 AEFLLLTELC126 KGQLVEFLKK 136 MESRGPLSCD146 TVLKIFYQTC156 RAVQHMHRQK166 PPIIHRDLKV176 ENLLLSNQGT 186 IKLCDFGSAT196 TISHYPYSNF238 PIGEKQDIWA248 LGCILYLLCF258 RQHPFSIPPH 281 DTQYTVFHSL291 IRAMLQVNPE301 ERLSIAEVVH311 QLQEIAAARN321 VNPKSPITEL 331 LE
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| Ligand Name: 9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione | Ligand Info | |||||
| Structure Description | Structure of GAK kinase in complex with nanobody (NbGAK_4) | PDB:4C58 | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [3] |
| PDB Sequence |
DFVGQTVELG
36 ELRLRVRRVL46 AEGGFAFVYE56 AQDVGSGREY66 ALKRLLSNEE76 EKNRAIIQEV 86 CFMKKLSGHP96 NIVQFCSAAS106 IGKEESDTGQ116 AEFLLLTELC126 KGQLVEFLKK 136 MESRGPLSCD146 TVLKIFYQTC156 RAVQHMHRQK166 PPIIHRDLKV176 ENLLLSNQGT 186 IKLCDFGSAT196 TISHYPDLYS236 NFPIGEKQDI246 WALGCILYLL256 CFRQHPFEKY 276 SIPPHDTQYT286 VFHSLIRAML296 QVNPEERLSI306 AEVVHQLQEI316 AAARNVNPKS 326 PITELLE
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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 .824 or .8242 or .8243 or :3824;style chemicals stick;color identity;select .A:44 or .A:46 or .A:47 or .A:54 or .A:67 or .A:69 or .A:85 or .A:89 or .A:99 or .A:121 or .A:123 or .A:124 or .A:125 or .A:126 or .A:127 or .A:128 or .A:129 or .A:180 or .A:190 or .A:191; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2z,3e)-2,3'-Biindole-2',3(1h,1'h)-Dione 3-{o-[(3r)-3,4-Dihydroxybutyl]oxime} | Ligand Info | |||||
| Structure Description | Structure of GAK kinase in complex with a nanobody | PDB:4C57 | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [3] |
| PDB Sequence |
QSDFVGQTVE
34 LGELRLRVRR44 VLAEGGFAFV54 YEAQDVGSGR64 EYALKRLLSN74 EEEKNRAIIQ 84 EVCFMKKLSG94 HPNIVQFCSA104 ASIGKEESDT114 GQAEFLLLTE124 LCKGQLVEFL 134 KKMESRGPLS144 CDTVLKIFYQ154 TCRAVQHMHR164 QKPPIIHRDL174 KVENLLLSNQ 184 GTIKLCDFGS194 ATTISHYPDY204 SWSAQRRALV214 EEEITRNTTP224 MYRTPEIIDL 234 YSNFPIGEKQ244 DIWALGCILY254 LLCFRQHPFE264 DGAKLRIVNG274 KYSIPPHDTQ 284 YTVFHSLIRA294 MLQVNPEERL304 SIAEVVHQLQ314 EIAAARNVNP324 KSPITELLEQ 334
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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 .FEF or .FEF2 or .FEF3 or :3FEF;style chemicals stick;color identity;select .A:46 or .A:47 or .A:54 or .A:67 or .A:69 or .A:89 or .A:99 or .A:121 or .A:123 or .A:124 or .A:125 or .A:126 or .A:127 or .A:128 or .A:129 or .A:177 or .A:178 or .A:180 or .A:190 or .A:191; 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 | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural Basis for the Inhibition of Cyclin G-Associated Kinase by Gefitinib. ChemistryOpen. 2018 Sep 10;7(9):721-727. | ||||
| REF 2 | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents. J Med Chem. 2015 Apr 23;58(8):3393-410. | ||||
| REF 3 | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies. Biochem J. 2014 Apr 1;459(1):59-69. | ||||
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