Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T70977 | Target Info | |||
| Target Name | Glycogen synthase kinase-3 beta (GSK-3B) | ||||
| Synonyms | Serine/threonine-protein kinase GSK3B; GSK-3 beta | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GSK3B | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-serine-O-phosphate | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | ||||
| InChIKey | BZQFBWGGLXLEPQ-REOHCLBHSA-N | ||||
| PubChem Compound ID | 68841 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6B8J Co-structure of human glycogen synthase kinase beta with a selective (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
VTTVVATPGQ
46 GPDRPQEVSY56 TDTKVIGNGS66 FGVVYQAKLC76 DSGELVAIKK86 VLQDKRFKNR 96 ELQIMRKLDH106 CNIVRLRYFF116 YSSGDEVYLN129 LVLDYVPETV139 YRVARHYSRA 149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL189 DPDTAVLKLC 199 DFGSAKQLVR209 GEPNVSICSR220 YYRAPELIFG230 ATDYTSSIDV240 WSAGCVLAEL 250 LLGQPIFPGD260 SGVDQLVEII270 KVLGTPTREQ280 IREMNPNYTE290 FKFPQIKAHP 300 WTKVFRPRTP310 PEAIALCSRL320 LEYTPTARLT330 PLEACAHSFF340 DELRDPNVKL 350 PNGRDTPALF360 NFTTQELSSN370 PPLATILIPP380 HARI
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| PDB ID: 4NM3 Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [2] |
| PDB Sequence |
RTTFMKVSRS
35 KVTTVVATPG45 QGPDRPQEVS55 YTDTKVIGNG65 SFGVVYQAKL75 CDSGELVAIK 85 KVLQDKRFKN95 RELQIMRKLD105 HCNIVRLRYF115 FYSSKKDEVY127 LNLVLDYVPE 137 TVYRVARHYS147 RAKQTLPVIY157 VKLYMYQLFR167 SLAYIHSFGI177 CHRDIKPQNL 187 LLDPDTAVLK197 LCDFGSAKQL207 VRGEPNVSYI217 CSRYYRAPEL227 IFGATDYTSS 237 IDVWSAGCVL247 AELLLGQPIF257 PGDSGVDQLV267 EIIKVLGTPT277 REQIREMNPN 287 YTEFKFPQIK297 AHPWTKVFRP307 RTPPEAIALC317 SRLLEYTPTA327 RLTPLEACAH 337 SFFDELRDPN347 VKLPNGRDTP357 ALFNFTTQEL367 SSNPPLATIL377 IPPHARH |
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| PDB ID: 4NM7 Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
SMKVSRDSKV
37 TTVVATPGQG47 PDRPQEVSYT57 DTKVIGNGSF67 GVVYQAKLCD77 SGELVAIKKV 87 LQDKRFKNRE97 LQIMRKLDHC107 NIVRLRYFFY117 SSKKDEVYLN129 LVLDYVPETV 139 YRVARHYSRA149 KQTLPVIYVK159 LYMYQLFRSL169 AYIHSFGICH179 RDIKPQNLLL 189 DPDTAVLKLC199 DFGSAKQLVR209 GEPNVSYICS219 RYYRAPELIF229 GATDYTSSID 239 VWSAGCVLAE249 LLLGQPIFPG259 DSGVDQLVEI269 IKVLGTPTRE279 QIREMNPNYT 289 EFKFPQIKAH299 PWTKVFRPRT309 PPEAIALCSR319 LLEYTPTARL329 TPLEACAHSF 339 FDELRDPNVK349 LPNGRDTPAL359 FNFTTQELSS369 NPPLATILIP379 PHARH |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Synthesis, Binding Mode, and Antihyperglycemic Activity of Potent and Selective (5-Imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine Inhibitors of Glycogen Synthase Kinase 3. J Med Chem. 2017 Oct 26;60(20):8482-8514. | ||||
| REF 2 | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife. 2014 Mar 18;3:e01998. | ||||
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