2025-12-20_00000145|ligand|9LWW

Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with inhibitor 47; X-ray diffraction 1.70Å
Protein #1 363 residues (100% resolved)

MVSTLKPLKIGKHTIKFPIFQGGMGVGISWDELAGNVAKEGALGVISAVGTGYYKNMRFVERIVAKKPFEALNFYSKKALNEIFANARKICGNNPLGANILYAINDYGRVLRDSCEAGANIIITGAGLPTNMPEFAKDFSDVALIPIISSAKALKILCKRWSDRYKRIPDAFIVEGPLSGGHQGFKYEDCFKEEFRLENLVPKVVEASKEWGNIPIIAAGGIWDRKDIDTMLSLGASGVQMATRFLGTKECDAKVYADLLPTLKKEDILLIKSPVGYPARAINTGVIKRIEEGNAPKIACVSNCVAPCNRGEEAKKVGYCIADGLGRSYLGNREEGLYFTGANGYRVDKIISVHELIKELTEG

MVSTLKPLKIGKHTIKFPIFQGGMGVGISWDELAGNVAKEGALGVISAVGTGYYKNMRFVERIVAKKPFEALNFYSKKALNEIFANARKICGNNPLGANILYAINDYGRVLRDSCEAGANIIITGAGLPTNMPEFAKDFSDVALIPIISSAKALKILCKRWSDRYKRIPDAFIVEGPLSGGHQGFKYEDCFKEEFRLENLVPKVVEASKEWGNIPIIAAGGIWDRKDIDTMLSLGASGVQMATRFLGTKECDAKVYADLLPTLKKEDILLIKSPVGYPARAINTGVIKRIEEGNAPKIACVSNCVAPCNRGEEAKKVGYCIADGLGRSYLGNREEGLYFTGANGYRVDKIISVHELIKELTEG
Non polymer #2 A1EMD

InChI=1S/C21H19N5O3S2/c1-26(2)18-9-5-8-17(13-18)25-31(28,29)21-24-23-20(30-21)22-19(27)16-11-10-14-6-3-4-7-15(14)12-16/h3-13,25H,1-2H3,(H,22,23,27)

CN(C)c1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3ccc4ccccc4c3
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 SF4

InChI=1S/4Fe.4S

[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
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Reference