Structure of PDB 6hlm Chain C Binding Site BS01

Receptor Information
>6hlm Chain C (length=155) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEFPEELKTKLQEHINYFPKKRQAILLCLHEIQNYYGYIPPESLKPLADM
LELPLNHVEGVVAFYDMFDREDKAKYRIRVCVSIVCHLMGTNKLLKALEN
ILGIKPGEVTPDGKFKIVPVQCLDACSEAPVFMVNDDEYKFESEVQLNEI
LSRYT
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6hlm Chain C Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hlm A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C86 S88 V90 C91 C127 D129 C131
Binding residue
(residue number reindexed from 1)		C81 S83 V85 C86 C122 D124 C126
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051537 2 iron, 2 sulfur cluster binding
Cellular Component
GO:0045271 respiratory chain complex I

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6hlm, PDBe:6hlm, PDBj:6hlm
PDBsum6hlm
PubMed31186428
UniProtO66842|NUOE_AQUAE NADH-quinone oxidoreductase subunit E (Gene Name=nuoE)

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