Structure of PDB 7nyv Chain E Binding Site BS01

Receptor Information
>7nyv Chain E (length=156) Species: 37762 (Escherichia coli B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFELSAAEREAIEHEMHHYEDPRAASIEALKIVQKQRGWVPDGAIHAIAD
VLGIPASDVEGVATFYSQIFRQPVGRHVIRYCDSVVCHINGYQGIQAALE
KKLNIKPGQTTFDGRFTLLPTCCLGNCDKGPNMMIDEDTHAHLTPEAIPE
LLERYK
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 chain7nyv Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nyv Structure of Escherichia coli respiratory complex I reconstituted into lipid nanodiscs reveals an uncoupled conformation.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		C92 V96 C97 C133 L134 C137 N142
Binding residue
(residue number reindexed from 1)		C82 V86 C87 C123 L124 C127 N132
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0005515 protein binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030964 NADH dehydrogenase complex
GO:0045271 respiratory chain complex I

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7nyv, PDBe:7nyv, PDBj:7nyv
PDBsum7nyv
PubMed34308841
UniProtP0AFD1|NUOE_ECOLI NADH-quinone oxidoreductase subunit E (Gene Name=nuoE)

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