2025-11-29_00000163|medium|9OR1

N-hydroxylamine dehydratase (NohD) H2F/F4P/P5S/R6Y/A59N/R144Y/V96A/D172E/L172Q/D173P/R176V (P1/P2/A1/A2/A3) mutant crystal structure with heme and N-hydroxylated ornithine; X-ray diffraction 1.50Å
Protein #1 206 residues (98% resolved)

MFVPSYYAAARPEQAAELVRSNPFALVVSAVDGVPVATHAPVILEGDAVEGGTLLGHMNRANPHWRSFASSPDVLVVFSGPHGYVSPTVYATDPAAPTWDYAAVHATGRVELAEDALDVVERTVAALEAPRDPAWTPTPASREYFRALLPGVVAFRVRVRTEQSMFKLSQEQPAEVYARVREAFAADNPGLADLMDRSLEHHHHHH

MFVPSYYAAARPEQAAELVRSNPFALVVSAVDGVPVATHAPVILEGDAVEGGTLLGHMNRANPHWRSFASSPDVLVVFSGPHGYVSPTVYATDPAAPTWDYAAVHATGRVELAEDALDVVERTVAALEAPRDPAWTPTPASREYFRALLPGVVAFRVRVRTEQSMFKLSQEQPAEVYARVREAFAADNPGLADLMDRSLEHHHHHH
Non polymer #2 BTB

InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

C(CO)N(CCO)C(CO)(CO)CO
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 ONH

InChI=1S/C5H12N2O3/c6-4(5(8)9)2-1-3-7-10/h4,7,10H,1-3,6H2,(H,8,9)/t4-/m0/s1

C(C[C@@H](C(=O)O)N)CNO
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