2026-05-23_00000352|medium|9WUC

Cryo-EM structure of full-length self-sufficient P450 from Shimazuella soli; Electron microscopy 2.72Å
Protein #1 1067 residues (96% resolved)

MDEANIIPQPKTYGPLGNIPLIDKDKPILSFMKLAEEYGPIFRLQTPGDSTIVVSGHELVKEVCDESRFLKSAEGPLEKVRAFGGDGLFTSWTHEPNWRKAHNILMPTFSQRAMKDYHDMMVDIAVQLIQKWIRLNPDETVDVPDDMTRLTLDTIGLCGFNYRFNSYYRETPHPFITSMVRALDEAMHQTQRLDLQDKLMIRTKRQFQHDIQVMFSLVDSIIAERRAGKNQKENDLLSRMLNVSDPETGEKLDDENIRYQIITFLIAGHETTSGLLSFALYFLLKNPDKLKKAYEEVDQVLTGSTPTYKQVLHLKYVRMILNEALRLWPTAPAFSLYAKEDTIIGGKYPVKKEQERITVLIPQLHRDKEAWGEDVEEFRPERFEDQNKVPHHAYKPFGNGQRACIGMQFALHEATLVLGMLLRHFEFIDYKDYQLDIKQTLTLKPGDFNIQVQPRNQPAFQQSVSVTEDVAAESKMEMKQVKDHFDQKSTIQGLNNRPLLVLYGSDTGTAEGIARELADTATLHGVHTEVATLNERIGELPKEGAVLIVTSSYNGKPPSNAGQFVQWLEAVQAGELSGVQYAVFGCGDHNWASTYQDVPRFIDKQLAEKGAVRFSARGEGDVSGDFEEQFDQWKEKMWSDAIEAFGLEISDDVKKDQNTLSLQFVKGTGGSPLARSYEAVYAKVVENRELQSPDSGRSTRHIEITLPKGVSYQEGDHLGVLPANSKENVHRVLQKYKLNENDQVVLTASGRSMAHLPLAQEVSLRDLLLYSVELQDAATRAQIRELAAFTVCPPHKRELEALLEEGIYQEQVLKKRISMLDLLEKYEACEMPFERFLELLHPLKPRYYSISSSPRLNSERASITVAVVRGPAWSGLGEYRGVASNYLADCKPGEDVMMFIRTPESNFQLPEESETPIIMVGPGTGLAPFRGFLQARDAMKQEGKTLGEAYLYFGCRNEADFIYRKELEQYKKNGIMTLYIAFSRKEGIPKTYVQHVMASNAESLIRILDQGGRLYICGDGSRMAPEVEATLKNSYQEVHGAGEQEASQWLEKLQKDGQYAKDVWAGL

MDEANIIPQPKTYGPLGNIPLIDKDKPILSFMKLAEEYGPIFRLQTPGDSTIVVSGHELVKEVCDESRFLKSAEGPLEKVRAFGGDGLFTSWTHEPNWRKAHNILMPTFSQRAMKDYHDMMVDIAVQLIQKWIRLNPDETVDVPDDMTRLTLDTIGLCGFNYRFNSYYRETPHPFITSMVRALDEAMHQTQRLDLQDKLMIRTKRQFQHDIQVMFSLVDSIIAERRAGKNQKENDLLSRMLNVSDPETGEKLDDENIRYQIITFLIAGHETTSGLLSFALYFLLKNPDKLKKAYEEVDQVLTGSTPTYKQVLHLKYVRMILNEALRLWPTAPAFSLYAKEDTIIGGKYPVKKEQERITVLIPQLHRDKEAWGEDVEEFRPERFEDQNKVPHHAYKPFGNGQRACIGMQFALHEATLVLGMLLRHFEFIDYKDYQLDIKQTLTLKPGDFNIQVQPRNQPAFQQSVSVTEDVAAESKMEMKQVKDHFDQKSTIQGLNNRPLLVLYGSDTGTAEGIARELADTATLHGVHTEVATLNERIGELPKEGAVLIVTSSYNGKPPSNAGQFVQWLEAVQAGELSGVQYAVFGCGDHNWASTYQDVPRFIDKQLAEKGAVRFSARGEGDVSGDFEEQFDQWKEKMWSDAIEAFGLEISDDVKKDQNTLSLQFVKGTGGSPLARSYEAVYAKVVENRELQSPDSGRSTRHIEITLPKGVSYQEGDHLGVLPANSKENVHRVLQKYKLNENDQVVLTASGRSMAHLPLAQEVSLRDLLLYSVELQDAATRAQIRELAAFTVCPPHKRELEALLEEGIYQEQVLKKRISMLDLLEKYEACEMPFERFLELLHPLKPRYYSISSSPRLNSERASITVAVVRGPAWSGLGEYRGVASNYLADCKPGEDVMMFIRTPESNFQLPEESETPIIMVGPGTGLAPFRGFLQARDAMKQEGKTLGEAYLYFGCRNEADFIYRKELEQYKKNGIMTLYIAFSRKEGIPKTYVQHVMASNAESLIRILDQGGRLYICGDGSRMAPEVEATLKNSYQEVHGAGEQEASQWLEKLQKDGQYAKDVWAGL
Non polymer #2 FAD

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
Non polymer #3 FMN

InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1

Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
Non polymer #4 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
Download coordinates
Reference