2025-10-25_00000004|medium|8VXI

The crystal structure of sitosterol-bound CYP125MRCA; X-ray diffraction 2.06Å
Protein #1 425 residues (94% resolved)

MTTTTMAPTDIDLTDPDVYNRGVPHEQFAWLRRNEPVYWHPEPPPDTDGEGYWAVTRHADVVAVSRDPEIFSSQQGGTMIQDADAAPEELEKQRMMMLNMDPPQHTRLRKLVSKGFTPRMIAKLEDKIRERAKQIVDEAIEKGECDFVADIAAELPLQVIAELIGVPQEDRQRLFDWSNRMIGYDDPEYHSSEADGEQAAAEMFAYAQELAAERRKNPRDDIVTALVQAEVDGQKLSDLEFNMFFLLLVVAGNETTRNAISHGMLALLEHPDQWERLRADPSLAPTAVDEILRWASPVMSFRRTATRDTELGGQQIKAGDKVVMFYASANRDEEVFDDPYTFDITRSPNPHLAFGGGGGPHYCLGANLARLEIRVMFEELAERMPDIELTGPPERLRSNFINGIKHMPVRFTPARAVGGHHHHHH

MTTTTMAPTDIDLTDPDVYNRGVPHEQFAWLRRNEPVYWHPEPPPDTDGEGYWAVTRHADVVAVSRDPEIFSSQQGGTMIQDADAAPEELEKQRMMMLNMDPPQHTRLRKLVSKGFTPRMIAKLEDKIRERAKQIVDEAIEKGECDFVADIAAELPLQVIAELIGVPQEDRQRLFDWSNRMIGYDDPEYHSSEADGEQAAAEMFAYAQELAAERRKNPRDDIVTALVQAEVDGQKLSDLEFNMFFLLLVVAGNETTRNAISHGMLALLEHPDQWERLRADPSLAPTAVDEILRWASPVMSFRRTATRDTELGGQQIKAGDKVVMFYASANRDEEVFDDPYTFDITRSPNPHLAFGGGGGPHYCLGANLARLEIRVMFEELAERMPDIELTGPPERLRSNFINGIKHMPVRFTPARAVGGHHHHHH
Non polymer #2 A1LXL

InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)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