2026-09-12_00000198
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ligand
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9SLV
human GSTA1 in complex with cholestane-triol bilary acid analogue (cholestane-3beta,5alpha,6beta-triol);
X-ray diffraction 1.56Å
Protein #1
222 residues (100% resolved)
Raw Sequence ...
MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYLMFQQVPMVEIDGMKLVQTRAILNYIASKYNLYGKDIKERALIDMYIEGIADLGEMILLLPVCPPEEKDAKLALIKEKIKNRYFPAFEKVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDSSLISSFPLLKALKTRISNLPTVKKFLQPGSPRKPPMDEKSLEEARKIFRF
Canonical Sequence ...
MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYLMFQQVPMVEIDGMKLVQTRAILNYIASKYNLYGKDIKERALIDMYIEGIADLGEMILLLPVCPPEEKDAKLALIKEKIKNRYFPAFEKVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDSSLISSFPLLKALKTRISNLPTVKKFLQPGSPRKPPMDEKSLEEARKIFRF
Non polymer #2
A1JOM
InChI=1S/C24H38O5/c1-14(4-7-21(27)28)17-5-6-18-16-12-20(26)24(29)13-15(25)8-11-23(24,3)19(16)9-10-22(17,18)2/h4,7,14-20,25-26,29H,5-6,8-13H2,1-3H3,(H,27,28)/b7-4+/t14-,15+,16+,17-,18+,19+,20-,22-,23-,24+/m1/s1
InChI=1S/C24H38O5/c1-14(4-7-21(27)28)17-5-6-18-16-12-20(26)24(29)13-15(25)8-11-23(24,3)19(16)9-10-22(17,18)2/h4,7,14-20,25-26,29H,5-6,8-13H2,1-3H3,(H,27,28)/b7-4+/t14-,15+,16+,17-,18+,19+,20-,22-,23-,24+/m1/s1
SMILES: C[C@H](/C=C/C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
C[C@H](/C=C/C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
Biounit #1
homo-dimer
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Model
Reference
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