Structure of PDB 8q5w Chain E Binding Site BS01

Receptor Information
>8q5w Chain E (length=279) Species: 573063 (Methanocaldococcus infernus ME) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEIAPNAKKVAIYGKGGIGKSTTTQNTAAALAYYYKLKGMIHGCDPKADS
TRMILHGKPQETVMDVLREEGEEGVTLEKVRKVGFCGIYCVESGGPEPGV
GCAGRGVITAVNLMKELGGYPDDLDFLFFDVLGDVVCGGFAMPLRDGLAK
EIYIVSSGEMMALYAANNIAKGILKYAEQSGVRLGGIICNSRNVDGEREL
MEEFCDKLGTKLIHFIPRDNIVQKAEFNKMTVVEFAPDHPQALEYKKLGK
KIMDNDELVIPTPLSMDELEKLVEKYGLY
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 chain8q5w Chain E Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q5w Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Resolution2.49 Å
Binding residue
(original residue number in PDB)		C105 C140
Binding residue
(residue number reindexed from 1)		C102 C137
Annotation score3
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:8q5w, PDBe:8q5w, PDBj:8q5w
PDBsum8q5w
PubMed38696373
UniProtD5VUA1

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