Structure of PDB 8q0q Chain E Binding Site BS01

Receptor Information
>8q0q Chain E (length=214) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GALFVHRDTPENNPETPFDFTPENYKRIEAIVKNYPEGHKAAAVLPVLDL
AQRQNGWLPISAMNKVAEILQVPPMRVYEVATFYTMYNRKPVGKYHIQVC
TTTPCMLRNSDSILEAIQKKLGIKVGETTPDKLFTLIEVECLGACVNAPM
VQINDNYYEDLTPKDIEEIIDELKAGKIPKPGPRSGRFSCEPAGGLTSLT
EPPKGPGFGVQAGL
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8q0q Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q0q Molecular mechanism of the ischemia-induced regulatory switch in mammalian complex I
Resolution3.6 Å
Binding residue
(original residue number in PDB)		C103 P107 C108 C144 L145 G146 A147 C148
Binding residue
(residue number reindexed from 1)		C100 P104 C105 C141 L142 G143 A144 C145
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:0051537 2 iron, 2 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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8q0q, PDBe:8q0q, PDBj:8q0q
PDBsum8q0q
PubMed38870289
UniProtP04394|NDUV2_BOVIN NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (Gene Name=NDUFV2)

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