2025-06-28_00000206|ligand|9LN5

Crystal structure of P450revI A241L mutant in complex with reveromycin T; X-ray diffraction 2.13Å
Protein #1 401 residues (98% resolved)

GSHMLNTTYPESLSYPFGPDEGLALSESYTRARDTDGLIRVKLPYGEPAWLATRYEDARLVLGDARFSRALSEEHDPPRARKFNAQAKSMFNMDAPDHTRLRRLISKAFTIRRVEELRPKVHDLAHRLIDDMLAKGEPADLVADYALPIPTTVICELLGVPFEDREKFGRWTDAILSTSTLNPEEGRVKRMELVGYIGGIIAARRAQPADDLISGMIEARDVQDKLTEQELLDHCIGLLILGHETTASQIPSFVYALLDQPQHWKRLLDDPELIPSAVEELFRFVPLGSGSAAPRYAREDIEVGGTLVRAGEPVLVALGAANRDGLRFEDPEEIKLDRPSNHHIGFGHGIHHCLGAPLARLELQEALRALLERLPTLKVAGDIAWKSEMMVRGPRSMPVGW

GSHMLNTTYPESLSYPFGPDEGLALSESYTRARDTDGLIRVKLPYGEPAWLATRYEDARLVLGDARFSRALSEEHDPPRARKFNAQAKSMFNMDAPDHTRLRRLISKAFTIRRVEELRPKVHDLAHRLIDDMLAKGEPADLVADYALPIPTTVICELLGVPFEDREKFGRWTDAILSTSTLNPEEGRVKRMELVGYIGGIIAARRAQPADDLISGMIEARDVQDKLTEQELLDHCIGLLILGHETTASQIPSFVYALLDQPQHWKRLLDDPELIPSAVEELFRFVPLGSGSAAPRYAREDIEVGGTLVRAGEPVLVALGAANRDGLRFEDPEEIKLDRPSNHHIGFGHGIHHCLGAPLARLELQEALRALLERLPTLKVAGDIAWKSEMMVRGPRSMPVGW
Non polymer #2 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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
Non polymer #4 RRM

InChI=1S/C32H48O7/c1-6-7-8-26-18-20-32(39-29(26)15-11-23(3)21-31(36)37)19-17-25(5)28(38-32)14-10-22(2)9-13-27(33)24(4)12-16-30(34)35/h9-13,15-16,21,24-29,33H,6-8,14,17-20H2,1-5H3,(H,34,35)(H,36,37)/b13-9+,15-11+,16-12+,22-10+,23-21+/t24-,25-,26-,27-,28+,29-,32-/m0/s1

CCCC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C
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