Structure of PDB 8q47 Chain B Binding Site BS01

Receptor Information
>8q47 Chain B (length=156) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRGEYVVAKLDDLINWARRSSLWPMTFGLACCAVEMMHMAAPRYDMDRFG
VVFRASPRQSDVMIVAGTLTNKMAPALRKVYDQMPEPRYVVSMGSCANGG
GYYHYSYSVVRGCDRIVPVDIYVPGCPPTAEALLYGILQLQKKIKREKRL
RIWYRR
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 chain8q47 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q47 Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I
Resolution2.9 Å
Binding residue
(original residue number in PDB)		C54 C55 T91 G117 S118 C119 C149 P150
Binding residue
(residue number reindexed from 1)		C31 C32 T68 G94 S95 C96 C126 P127
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:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
GO:0032981 mitochondrial respiratory chain complex I assembly
Cellular Component
GO:0005739 mitochondrion
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:8q47, PDBe:8q47, PDBj:8q47
PDBsum8q47
PubMed38870289
UniProtP42026|NDUS7_BOVIN NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial (Gene Name=NDUFS7)

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