Structure of PDB 8ba0 Chain I Binding Site BS02

Receptor Information
>8ba0 Chain I (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 chain8ba0 Chain I Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ba0 Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Resolution3.68 Å
Binding residue
(original residue number in PDB)		C118 I119 A120 C121 K122 C124 Y150 C167 P168 A171
Binding residue
(residue number reindexed from 1)		C87 I88 A89 C90 K91 C93 Y119 C136 P137 A140
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:8ba0, PDBe:8ba0, PDBj:8ba0
PDBsum8ba0
PubMed36622099
UniProtQ9VF27|NDUS8_DROME NADH dehydrogenase (ubiquinone) 23 kDa subunit (Gene Name=ND-23)

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