Structure of PDB 7e1s Chain A Binding Site BS02

Receptor Information
>7e1s Chain A (length=366) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMVSTLKPLKIGKHTIKFPIFQGGMGVGISWDELAGNVAKEGALGVIS
AVGTGYYKNMRFVERIVAKKPFEALNFYSKKALNEIFANARKICGNNPLG
ANILYAINDYGRVLRDSCEAGANIIITGAGLPTNMPEFAKDFSDVALIPI
ISSAKALKILCKRWSDRYKRIPDAFIVEGPLSGGHQGFKYEDCFKEEFRL
ENLVPKVVEASKEWGNIPIIAAGGIWDRKDIDTMLSLGASGVQMATRFLG
TKECDAKVYADLLPTLKKEDILLIKSPVGYPARAINTGVIKRIEEGNAPK
IACVSNCVAPCNRGEEAKKVGYCIADGLGRSYLGNREEGLYFTGANGYRV
DKIISVHELIKELTEG
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7e1s Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7e1s Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		C300 N303 C304 V305 C308 G311 A314 C320 I321
Binding residue
(residue number reindexed from 1)		C303 N306 C307 V308 C311 G314 A317 C323 I324
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0018580 nitronate monooxygenase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:7e1s, PDBe:7e1s, PDBj:7e1s
PDBsum7e1s
PubMed34836944
UniProtB5Z7D6

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