Structure of PDB 7p7e Chain I Binding Site BS02

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 202 [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)		C60 V61 A62 C63 N64 C66 L77 F92 C109 P110 T111 A113 I114
Binding residue
(residue number reindexed from 1)		C25 V26 A27 C28 N29 C31 L42 F57 C74 P75 T76 A78 I79
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

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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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