Structure of PDB 8q5x Chain B Binding Site BS01

Receptor Information
>8q5x Chain B (length=280) Species: 267377 (Methanococcus maripaludis S2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRKIAIYGKGGIGKSTTTQNTVAAMAHFHDKKVFIHGCDPKADSTRLILH
GKQQVTMMDTLREKGEDECTPDKVIEVGFGGVKCVESGGPEPGVGCAGRG
VITAITLMEQHGVYEDDLDFVFFDVLGDVVCGGFAMPVRDGKADEIYVVA
SGEMMALYAANNICKGMVKYAEQSGVRLGGIICNSRNVDGELDLLQEFCD
KIGTQLIHFVPRDNIVQKAEFQKKAVVDYDDTCNQALEYKELARKIIENE
NLVIPTPMTMDELEELTSKYGFLDGRAIEG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8q5x Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q5x Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K65 D68 E69
Binding residue
(residue number reindexed from 1)		K64 D67 E68
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:8q5x, PDBe:8q5x, PDBj:8q5x
PDBsum8q5x
PubMed38696373
UniProtP0CW57|NIFH_METMP Nitrogenase iron protein (Gene Name=nifH)

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