Structure of PDB 8a1u Chain E Binding Site BS01

Receptor Information
>8a1u Chain E (length=197) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EHYISLLVKSIFIENMALSFFLGMCTFLAVSKKVKTSFGLGIAVIVVLTI
SVPVNNLVYNLVLKPDALVEGVDLSFLNFITFIGVIAALVQILEMILDRF
FPPLYNALGIFLPLITVNCAIFGGVSFMVQRDYSFAESVVYGFGSGVGWM
LAIVALAGIREKMKYSDVPPGLRGLGITFITAGLMALGFMSFSGVQL
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 chain8a1u Chain E Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a1u Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		G24 C26 C120
Binding residue
(residue number reindexed from 1)		G23 C25 C119
Annotation score1
Enzymatic activity
Enzyme Commision number 7.2.1.1: NADH:ubiquinone reductase (Na(+)-transporting).
Gene Ontology
Molecular Function
GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
Biological Process
GO:0006814 sodium ion transport
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0009276 Gram-negative-bacterium-type cell wall
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8a1u, PDBe:8a1u, PDBj:8a1u
PDBsum8a1u
PubMed37710014
UniProtQ9X4Q7|NQRE_VIBCH Na(+)-translocating NADH-quinone reductase subunit E (Gene Name=nqrE)

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