2026-07-25_00000224
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ligand
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9SN7
Crystal structure of anthocyanin-related glutathione transferase from poplar in complex with quercetin;
X-ray diffraction 1.40Å
Protein #1
213 residues (100% resolved)
Raw Sequence ...
VVKVYGPAMAVCPQRVMACLLEKGVEFDLVHVDLDSGEQKLPEFLLKQPFGQVPVVEDGDFKLFESRAIIRYYAAKYEDRGPNLLGNTLEEKALVDQWLEIEAHNFNDLVFNIVFQVVILPRIGQQGDSELVRTYEEKLEKVLDVYEQRLSKSKYLAGDSFTLADLSHLPATRYLVNEAGLGHLVKDRKKLNAWWEDISSRPAWKKLINLAGF
Canonical Sequence ...
VVKVYGPAMAVCPQRVMACLLEKGVEFDLVHVDLDSGEQKLPEFLLKQPFGQVPVVEDGDFKLFESRAIIRYYAAKYEDRGPNLLGNTLEEKALVDQWLEIEAHNFNDLVFNIVFQVVILPRIGQQGDSELVRTYEEKLEKVLDVYEQRLSKSKYLAGDSFTLADLSHLPATRYLVNEAGLGHLVKDRKKLNAWWEDISSRPAWKKLINLAGF
Non polymer #2
GSH
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
SMILES: C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
Non polymer #3
QUE
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILES: c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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