Structure of PDB 7p7k Chain I Binding Site BS01

Receptor Information
>7p7k Chain I (length=149) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYPEEPVYLPPRYRGRIVLTRDPDGEERCVACNLCAVACPVGCISLQKAE
TKDGRWYPEFFRINFSRCIFCGLCEEACPTTAIQLTPDFEMGEYKRQDLV
YEKEDLLISGPGKYPEYNFYRMAGMAIDGKDKGEAENEAKPIDVKSLLP
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 chain7p7k Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7p7k A universal coupling mechanism of respiratory complex I.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		I48 C70 C74 I75 C99 I100 F101 C102 G103 C105
Binding residue
(residue number reindexed from 1)		I17 C39 C43 I44 C68 I69 F70 C71 G72 C74
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
View graph for
Cellular Component
External links
PDB RCSB:7p7k, PDBe:7p7k, PDBj:7p7k
PDBsum7p7k
PubMed36104567
UniProtP0AFD6|NUOI_ECOLI NADH-quinone oxidoreductase subunit I (Gene Name=nuoI)

[Back to BioLiP]