Structure of PDB 7p7e Chain I Binding Site BS01

Receptor Information
>7p7e Chain I (length=145) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPVYLPPRYRGRIVLTRDPDGEERCVACNLCAVACPVGCISLQKAETKDG
RWYPEFFRINFSRCIFCGLCEEACPTTAIQLTPDFEMGEYKRQDLVYEKE
DLLISGPGKYPEYNFYRMAGMAIDGKDKGEAENEAKPIDVKSLLP
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7p7e Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p7e A universal coupling mechanism of respiratory complex I.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I48 C70 C74 I75 C99 I100 F101 C102 G103 L104 C105
Binding residue
(residue number reindexed from 1)		I13 C35 C39 I40 C64 I65 F66 C67 G68 L69 C70
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:7p7e, PDBe:7p7e, PDBj:7p7e
PDBsum7p7e
PubMed36104567
UniProtP0AFD6|NUOI_ECOLI NADH-quinone oxidoreductase subunit I (Gene Name=nuoI)

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