Structure of PDB 8esw Chain V1 Binding Site BS03

Receptor Information
>8esw Chain V1 (length=439) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGTPPPQTKTKFGPLADEDRIFTNLYGRHDWRLKGALKRGDWYKTKEIVL
KGADWIVNEIKTSGLRGRGGAGFPSGMKWSFMNKPGDGRPKYLVVNADEG
EPGTCKDREIMRHDPHKLVEGCLIAGRAMGAQAAYIYIRGEFYNEASNMQ
LAIAEAYQAGLIGKNACGTGYDFDVFMHRGAGAYICGEETALIESLEGKQ
GKPRLKPPFPADVGVFGCPTTVTNVETVAVAPTICRRGGVWFASFGRTRN
SGTKLFNISGHVNRPCTVEEEMSIPLKELIERHCGGVTGGWDNLLGVIPG
GSSTPIIPKNVCDDVIMDFDGLIAAQTSLGTAAIIVMDKSTDVIKAIARL
ISFYKHESCGQCTPCREGIGWMNKIMTRFVKGDAQPAEIDMLWEISKQIE
GHTICALGDGAAWPVQGLIRHFRPEIEKRMQLHAKRVSN
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 chain8esw Chain V1 Residue 502 [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]
PDB8esw Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		I220 P238 C394 Q396 C397 C400 T438 I439 C440 L442
Binding residue
(residue number reindexed from 1)		I185 P203 C359 Q361 C362 C365 T403 I404 C405 L407
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0046872 metal ion binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8esw, PDBe:8esw, PDBj:8esw
PDBsum8esw
PubMed36952377
UniProtQ9VMI3

[Back to BioLiP]