Structure of PDB 9fe5 Chain A Binding Site BS01
Receptor Information
>9fe5 Chain A (length=156) Species:
224324
(Aquifex aeolicus VF5) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
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
9fe5 Chain A Residue 201 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
9fe5
Structural robustness of the NADH binding site in NADH:ubiquinone oxidoreductase (complex I).
Resolution
2.1 Å
Binding residue
(original residue number in PDB)
C86 V90 C91 C127 A130 C131
Binding residue
(residue number reindexed from 1)
C82 V86 C87 C123 A126 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
View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB
RCSB:9fe5
,
PDBe:9fe5
,
PDBj:9fe5
PDBsum
9fe5
PubMed
38960077
UniProt
O66842
|NUOE_AQUAE NADH-quinone oxidoreductase subunit E (Gene Name=nuoE)
[
Back to BioLiP
]