Structure of PDB 9fe7 Chain A Binding Site BS01
Receptor Information
>9fe7 Chain A (length=156) Species:
224324
(Aquifex aeolicus VF5) [
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EFEFPEELKTKLQEHINYFPKKRQAILLCLHEIQNYYGYIPPESLKPLAD
MLELPLNHVEGVVAFYDMFDREDKAKYRIRVCVSIVCHLMGTNKLLKALE
NILGIKPGEVTPDGKFKIVPVQCLGACSEAPVFMVNDDEYKFESEVQLNE
ILSRYT
Ligand information
Ligand ID
FES
InChI
InChI=1S/2Fe.2S
InChIKey
NIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0
S1[Fe]S[Fe]1
Formula
Fe2 S2
Name
FE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain
9fe7 Chain A Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
9fe7
Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Resolution
2.28 Å
Binding residue
(original residue number in PDB)
C86 V90 C91 C127 L128 C131
Binding residue
(residue number reindexed from 1)
C82 V86 C87 C123 L124 C127
Annotation score
1
Gene Ontology
Molecular Function
GO:0003954
NADH dehydrogenase 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
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Molecular Function
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Cellular Component
External links
PDB
RCSB:9fe7
,
PDBe:9fe7
,
PDBj:9fe7
PDBsum
9fe7
PubMed
38960077
UniProt
O66842
|NUOE_AQUAE NADH-quinone oxidoreductase subunit E (Gene Name=nuoE)
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