Structure of PDB 7vxq Chain A Binding Site BS05

Receptor Information
>7vxq Chain A (length=551) Species: 1080067 (Citrobacter sp. S-77) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQRITIDPVTRIEGHLRIDCEIENGVVSKAWASGTMWRGMEEIVKNRDPR
DAWMIVQRICGVCTTTHAISSVRAAESALNIDVPVNAQYIRNIILAAHTT
HDHIVHFYQLSALDWVDITSALKADPAKASAMLNGVSTWHLNSAEEFTKV
QNKIKDLVASGQLGIFANGCWGHPAMQLPPEVNLIAVAHYLQALECQRDA
NRVVALLGGKTPHIQNLAVGGVANPINLDGLGVLNLERLMYIKSFIDKLS
DFVEQVYKVDTAVIAAFYPEWLERGQGAVNYLSAPEFPTDGKNGSFLFPG
GYITDADLSTYRPITSHSDEYLIKGIQESAKHAWYKDEAPQAPWEGTTVP
DYTGWSDDGKYSWVKAPTFYGKTVEVGPLANMLCKLAAKRESTHAKLNEI
VAIYTKLTGKTIEVAQLHSTLGRIIGRTVHCCELQNVLQDQYNALIVNIG
KGDHTTFVKPDIPATGEFKGVGFLEAPRGMLSHWMVIKDGIISNYQAVVP
STWNSGPRNFNDEVGPYERSLVGTPIADPNKPLEVVRTIHSFDPCMSCAV
H
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 chain7vxq Chain B Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vxq Structural and spectroscopic characterization of CO inhibition of [NiFe]-hydrogenase from Citrobacter sp. S-77.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		R59 H214
Binding residue
(residue number reindexed from 1)		R58 H213
Annotation score3
Enzymatic activity
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7vxq, PDBe:7vxq, PDBj:7vxq
PDBsum7vxq
PubMed35102895
UniProtA0A3B6UEQ1

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