Structure of PDB 8q5v Chain C Binding Site BS02

Receptor Information
>8q5v Chain C (length=279) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFDEIAPDAKKVAIYGKGGIGKSTTTQNTAAALAYFFDKKVMIHGCDPKA
DSTRMILHGKPQDTVMDVLREEGEEAVTLEKVRKIGFKDILCVESGGPEP
GVGCAGRGVITAVDMMRELEGYPDDLDNLFFDVLGDVVCGGFAMPLRDGL
AQEIYIVTSGEMMALYAANNIAKGILKYAEQSGVRLGGIICNARNVDGEK
ELMDEFCDKLGTKLIHYVPRDNIVQKAEFNKMTVIEFDPECNQAKEYRTL
AKNIDENDELVKPTPMTMDELEELVVKYG
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 chain8q5v Chain C Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q5v Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Resolution2.74 Å
Binding residue
(original residue number in PDB)		S24 D48
Binding residue
(residue number reindexed from 1)		S23 D47
Annotation score1
Enzymatic activity
Enzyme Commision number 1.18.6.1: nitrogenase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016163 nitrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009399 nitrogen fixation

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Molecular Function
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Biological Process
External links
PDB RCSB:8q5v, PDBe:8q5v, PDBj:8q5v
PDBsum8q5v
PubMed38696373
UniProtP25767|NIFH1_METTL Nitrogenase iron protein 1 (Gene Name=nifH1)

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