2026-11-07_00000271|medium|9ZVS

CYP226A31 in complex with abietic acid; X-ray diffraction 1.65Å
Protein #1 420 residues (100% resolved)

SALDLKNNYSAVSETYRGTDLDIHAVCREQLLKSPIYEGDFIAQFGVPTNAGIQQGTRPTFALFKYQDVMAVLRDGNTYTNGFIAEGLGAFFDGLVILAMDGEPHRKVRALLQPAFMPESVNKWRGQIDEVIREEFLKPLVPQKKADLMEFGLELPIRIMYALMGFPTDDPSKYKQYAAWALAMVGGNQIDPAKMEEARKRAGIAVKGLYDAIQEVVVRRRAEGSQGDDVIGRLLRAEYEGRTLDDHEVITFTRSLLPAAGETTTRMFSSVMALLLTTPGLLERVKADRSLIPKLMDETARYEPVATFKVRETAKDVEFHGVKIPKGSFVQCMVVSANRDPDVFENPDVFDIDRKLKPSFGFGFGPHMCIGQFIAKVEISCSINAILDLFPNIRLDPSKPAPVIAGAQLRGVSSLPVIWD

SALDLKNNYSAVSETYRGTDLDIHAVCREQLLKSPIYEGDFIAQFGVPTNAGIQQGTRPTFALFKYQDVMAVLRDGNTYTNGFIAEGLGAFFDGLVILAMDGEPHRKVRALLQPAFMPESVNKWRGQIDEVIREEFLKPLVPQKKADLMEFGLELPIRIMYALMGFPTDDPSKYKQYAAWALAMVGGNQIDPAKMEEARKRAGIAVKGLYDAIQEVVVRRRAEGSQGDDVIGRLLRAEYEGRTLDDHEVITFTRSLLPAAGETTTRMFSSVMALLLTTPGLLERVKADRSLIPKLMDETARYEPVATFKVRETAKDVEFHGVKIPKGSFVQCMVVSANRDPDVFENPDVFDIDRKLKPSFGFGFGPHMCIGQFIAKVEISCSINAILDLFPNIRLDPSKPAPVIAGAQLRGVSSLPVIWD
Non polymer #2 A9H

InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C
Non polymer #3 HEM

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
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Reference