Structure of PDB 8ad0 Chain F Binding Site BS02

Receptor Information
>8ad0 Chain F (length=406) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSTIIFGVVMFTLIILALVLVILFAKSKLVPTGDITISINGDPEKAIVTQ
PGGKLLTALAGAGVFVSSACGGGGSCGQCRVKIKSGGGDILPTELDHISK
GEAREGERLACQVAVKADMDLELPEEIFGVKKWECTVISNDNKATFIKEL
KLAIPDGESVPFRAGGYIQIEAPAHHVKYADFDVPEKYRGDWDKFNLFRY
ESKVDEPIIRAYSMANYPEEFGIIMLNVRIATPPPNNPNVPPGQMSSYIW
SLKAGDKCTISGPFGEFFAKDTDAEMVFIGGGAGMAPMRSHIFDQLKRLK
SKRKMSYWYGARSKREMFYVEDFDGLAAENDNFVWHCALSDPQPEDNWTG
YTGFIHNVLYENYLKDHEAPEDCEYYMCGPPMMNAAVINMLKNLGVEEEN
ILLDDF
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 chain8ad0 Chain F Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ad0 X-ray structure of Na+-NQR from Vibrio cholerae at 3.4 A resolution
Resolution3.11 Å
Binding residue
(original residue number in PDB)		S68 C70 G72 G74 C76 G77 C79 C111
Binding residue
(residue number reindexed from 1)		S68 C70 G72 G74 C76 G77 C79 C111
Annotation score1
Enzymatic activity
Enzyme Commision number 7.2.1.1: NADH:ubiquinone reductase (Na(+)-transporting).
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0071949 FAD binding
Biological Process
GO:0006814 sodium ion transport
Cellular Component
GO:0005886 plasma membrane
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:8ad0, PDBe:8ad0, PDBj:8ad0
PDBsum8ad0
PubMed
UniProtA5F5Y4|NQRF_VIBC3 Na(+)-translocating NADH-quinone reductase subunit F (Gene Name=nqrF)

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