Structure of PDB 7z80 Chain I Binding Site BS01

Receptor Information
>7z80 Chain I (length=180) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTLKELLVGFGTQVRSIWMIGLHAFAKRETRMYPEEPVYLPPRYRGRIVL
TRDPDGEERCVACNLCAVACPVGCISLQKAETKDGRWYPEFFRINFSRCI
FCGLCEEACPTTAIQLTPDFEMGEYKRQDLVYEKEDLLISGPGKYPEYNF
YRMAGMAIDGKDKGEAENEAKPIDVKSLLP
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 chain7z80 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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PDB7z80 A universal coupling mechanism of respiratory complex I.
Resolution2.93 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)		I48 C70 C74 I75 C99 I100 F101 C102 G103 L104 C105
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0005506 iron ion binding
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009060 aerobic respiration
GO:0022904 respiratory electron transport chain
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:7z80, PDBe:7z80, PDBj:7z80
PDBsum7z80
PubMed36104567
UniProtP0AFD6|NUOI_ECOLI NADH-quinone oxidoreductase subunit I (Gene Name=nuoI)

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