Structure of PDB 8esw Chain S8 Binding Site BS01

Receptor Information
>8esw Chain S8 (length=186) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPKDIVEVPKGYVYVNNKELSMEFADITDRAASTMFFGELLRGFAVTLAH
IFKEPATINYPFEKGPLSPRFRGEHALRRYPSGEERCIACKLCEAICPAQ
AITIEAEERADGSRRTTRYDIDMTKCIYCGFCQEACPVDAIVEGPNFEFS
TETHEELLYNKEKLLCNGDKWESEIASNLQADHLYR
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 S8 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)		H106 C128 I133 C157 I158 Y159 C160 G161 C163
Binding residue
(residue number reindexed from 1)		H75 C97 I102 C126 I127 Y128 C129 G130 C132
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0042775 mitochondrial ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 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
UniProtQ9VF27|NDUS8_DROME NADH dehydrogenase (ubiquinone) 23 kDa subunit (Gene Name=ND-23)

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