2026-07-18_00000283|medium|9W0A

Wild-type P450 enzyme-TtpB1; X-ray diffraction 2.48Å
Protein #1 399 residues (100% resolved)

FAIDDIPVWPFERWDHQLSPWVARLRDTDEPGYRVRTHNGDTIWLVTQAAVARACLSDPRMSLRAAGADDAPRQEPVRFRPPGTRGDATPVLDHPALRRVFRQALSPHTAASLQPAAAAAAEDLLAKIARTGGPIDFYAEIAVPLPFRMVGRTLLGDLSAELRHRLQADVRIGLTGVGHTREEIETAWLDYHRLLTDWYADPAHLTGDHLMARIHHAAPEPLSAHHLAEIAGMLWAAGYESTVGFLTNACLTLLRHPKTWNELLDQPDLIPQAVDELLRYTPLATGGAPRLVTADAHIAGLDLTRGQCVAFSYEAANHDPRAYPDPDRLDIHRKPVDHLGFGHGPHRCPGHHLARMQIETALRALLRHFPALHLVAPVDTLTWRTGQVIRTPHALPVSW

FAIDDIPVWPFERWDHQLSPWVARLRDTDEPGYRVRTHNGDTIWLVTQAAVARACLSDPRMSLRAAGADDAPRQEPVRFRPPGTRGDATPVLDHPALRRVFRQALSPHTAASLQPAAAAAAEDLLAKIARTGGPIDFYAEIAVPLPFRMVGRTLLGDLSAELRHRLQADVRIGLTGVGHTREEIETAWLDYHRLLTDWYADPAHLTGDHLMARIHHAAPEPLSAHHLAEIAGMLWAAGYESTVGFLTNACLTLLRHPKTWNELLDQPDLIPQAVDELLRYTPLATGGAPRLVTADAHIAGLDLTRGQCVAFSYEAANHDPRAYPDPDRLDIHRKPVDHLGFGHGPHRCPGHHLARMQIETALRALLRHFPALHLVAPVDTLTWRTGQVIRTPHALPVSW
Non polymer #2 A1EUF

InChI=1S/C22H18Cl2N4O2/c23-13-1-3-15-11(9-25-17(15)7-13)5-19-21(29)28-20(22(30)27-19)6-12-10-26-18-8-14(24)2-4-16(12)18/h1-4,7-10,19-20,25-26H,5-6H2,(H,27,30)(H,28,29)/t19-,20-/m0/s1

c1cc2c(cc1Cl)[nH]cc2C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4ccc(c5)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
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Reference