Structure of PDB 8esw Chain S7 Binding Site BS01

Receptor Information
>8esw Chain S7 (length=182) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQTLPVAEVAQNLPKKGYSPFGTKQSSVAEWSLARLDDLLNWGRKGSIWP
LTFGLACCAVEMMHIAAPRYDMDRYGVVFRASPRQADVIIVAGTLTNKMA
PALRKVYDQMPEPRWVISMGSCANGGGYYHYSYSVVRGCDRIIPVDIYVP
GCPPTAEALMYGVLQLQKKVKRMKTLQMWYRK
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 S7 Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8esw Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		C96 C97 G159 S160 C161 C191 P192
Binding residue
(residue number reindexed from 1)		C57 C58 G120 S121 C122 C152 P153
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0000302 response to reactive oxygen species
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0008340 determination of adult lifespan
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:2000331 regulation of terminal button organization
Cellular Component
GO:0005743 mitochondrial inner membrane
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:8esw, PDBe:8esw, PDBj:8esw
PDBsum8esw
PubMed36952377
UniProtQ9VXK7

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