2026-09-12_00000197|ligand|9SLU

human GSTA1 in complex with dendrogenin A (bilary salt analogue, 3beta,5alpha-dihydroxy-6beta-[2-(1H-imidazol-4-yl)-ethylamino]-cholan-24-oic acid); X-ray diffraction 1.68Å
Protein #1 222 residues (100% resolved)

MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYLMFQQVPMVEIDGMKLVQTRAILNYIASKYNLYGKDIKERALIDMYIEGIADLGEMILLLPVCPPEEKDAKLALIKEKIKNRYFPAFEKVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDSSLISSFPLLKALKTRISNLPTVKKFLQPGSPRKPPMDEKSLEEARKIFRF

MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYLMFQQVPMVEIDGMKLVQTRAILNYIASKYNLYGKDIKERALIDMYIEGIADLGEMILLLPVCPPEEKDAKLALIKEKIKNRYFPAFEKVLKSHGQDYLVGNKLSRADIHLVELLYYVEELDSSLISSFPLLKALKTRISNLPTVKKFLQPGSPRKPPMDEKSLEEARKIFRF
Non polymer #2 A1JOP

InChI=1S/C29H47N3O4/c1-18(4-7-26(34)35)22-5-6-23-21-14-25(31-13-10-19-16-30-17-32-19)29(36)15-20(33)8-12-28(29,3)24(21)9-11-27(22,23)2/h17-18,20-25,31,33,36H,4-16H2,1-3H3,(H,34,35)/t18-,20+,21+,22-,23+,24+,25-,27-,28-,29+/m1/s1

C[C@H](CCC(=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)NCCC5=NC=NC5)C
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Reference