2025-08-16_00000271|ligand|9JSY

Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with inhibitor 1991; X-ray diffraction 2.00Å
Protein #1 365 residues (96% resolved)

GSMVSTLKPLKIGKHTIKFPIFQGGMGVGISWDELAGNVAKEGALGVISAVGTGYYKNMRFVERIVAKKPFEALNFYSKKALNEIFANARKICGNNPLGANILYAINDYGRVLRDSCEAGANIIITGAGLPTNMPEFAKDFSDVALIPIISSAKALKILCKRWSDRYKRIPDAFIVEGPLSGGHQGFKYEDCFKEEFRLENLVPKVVEASKEWGNIPIIAAGGIWDRKDIDTMLSLGASGVQMATRFLGTKECDAKVYADLLPTLKKEDILLIKSPVGYPARAINTGVIKRIEEGNAPKIACVSNCVAPCNRGEEAKKVGYCIADGLGRSYLGNREEGLYFTGANGYRVDKIISVHELIKELTEG

GSMVSTLKPLKIGKHTIKFPIFQGGMGVGISWDELAGNVAKEGALGVISAVGTGYYKNMRFVERIVAKKPFEALNFYSKKALNEIFANARKICGNNPLGANILYAINDYGRVLRDSCEAGANIIITGAGLPTNMPEFAKDFSDVALIPIISSAKALKILCKRWSDRYKRIPDAFIVEGPLSGGHQGFKYEDCFKEEFRLENLVPKVVEASKEWGNIPIIAAGGIWDRKDIDTMLSLGASGVQMATRFLGTKECDAKVYADLLPTLKKEDILLIKSPVGYPARAINTGVIKRIEEGNAPKIACVSNCVAPCNRGEEAKKVGYCIADGLGRSYLGNREEGLYFTGANGYRVDKIISVHELIKELTEG
Non polymer #2 A1ECY

InChI=1S/C19H15Cl2N3O4S/c1-28-19(25)12-4-2-5-14(10-12)24-29(26,27)17-6-3-9-22-18(17)23-16-8-7-13(20)11-15(16)21/h2-11,24H,1H3,(H,22,23)

COC(=O)c1cccc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl
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 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #5 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