Structure of PDB 7vxq Chain C Binding Site BS01

Receptor Information
>7vxq Chain C (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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7vxq Chain C Residue 701 [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)		E42 A498 H552
Binding residue
(residue number reindexed from 1)		E41 A497 H551
Annotation score1
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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