2025-08-16_00000284
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ligand
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9K7H
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori in complex with inhibitor 1872;
X-ray diffraction 1.60Å
Protein #1
371 residues (95% resolved)
Raw Sequence ...
EHHHHHHHMVSTLKPLKIGKHTIKFPIFQGGMGVGISWDELAGNVAKEGALGVISAVGTGYYKNMRFVERIVAKKPFEALNFYSKKALNEIFANARKICGNNPLGANILYAINDYGRVLRDSCEAGANIIITGAGLPTNMPEFAKDFSDVALIPIISSAKALKILCKRWSDRYKRIPDAFIVEGPLSGGHQGFKYEDCFKEEFRLENLVPKVVEASKEWGNIPIIAAGGIWDRKDIDTMLSLGASGVQMATRFLGTKECDAKVYADLLPTLKKEDILLIKSPVGYPARAINTGVIKRIEEGNAPKIACVSNCVAPCNRGEEAKKVGYCIADGLGRSYLGNREEGLYFTGANGYRVDKIISVHELIKELTEG
Canonical Sequence ...
EHHHHHHHMVSTLKPLKIGKHTIKFPIFQGGMGVGISWDELAGNVAKEGALGVISAVGTGYYKNMRFVERIVAKKPFEALNFYSKKALNEIFANARKICGNNPLGANILYAINDYGRVLRDSCEAGANIIITGAGLPTNMPEFAKDFSDVALIPIISSAKALKILCKRWSDRYKRIPDAFIVEGPLSGGHQGFKYEDCFKEEFRLENLVPKVVEASKEWGNIPIIAAGGIWDRKDIDTMLSLGASGVQMATRFLGTKECDAKVYADLLPTLKKEDILLIKSPVGYPARAINTGVIKRIEEGNAPKIACVSNCVAPCNRGEEAKKVGYCIADGLGRSYLGNREEGLYFTGANGYRVDKIISVHELIKELTEG
Non polymer #2
A1EEQ
InChI=1S/C18H13Cl2N3O4S/c19-12-6-7-15(14(20)10-12)22-17-16(5-2-8-21-17)28(26,27)23-13-4-1-3-11(9-13)18(24)25/h1-10,23H,(H,21,22)(H,24,25)
InChI=1S/C18H13Cl2N3O4S/c19-12-6-7-15(14(20)10-12)22-17-16(5-2-8-21-17)28(26,27)23-13-4-1-3-11(9-13)18(24)25/h1-10,23H,(H,21,22)(H,24,25)
SMILES: c1cc(cc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl)C(=O)O
c1cc(cc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl)C(=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
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
SMILES: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
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
InChI=1S/4Fe.4S
SMILES: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
Biounit #1
monomer
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Model
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