Structure of PDB 5o31 Chain I Binding Site BS01

Receptor Information
>5o31 Chain I (length=176) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYKYVNLREPSMDMKSVTDRAAQTLLWTELIRGLGMTLSYLFREPATINY
PFEKGPLSPRFRGEHALRRYPSGEERCIACKLCEAVCPAQAITIEAEPRA
DGSRRTTRYDIDMTKCIYCGFCQEACPVDAIVEGPNFEFSTETHEELLYN
KEKLLNNGDKWEAEIAANIQADYLYR
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 chain5o31 Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5o31 Structure of the Deactive State of Mammalian Respiratory Complex I.
Resolution4.13 Å
Binding residue
(original residue number in PDB)		H65 C87 P88 C116 Y118 C119 G120 F121 C122
Binding residue
(residue number reindexed from 1)		H65 C87 P88 C116 Y118 C119 G120 F121 C122
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:5o31, PDBe:5o31, PDBj:5o31
PDBsum5o31
PubMed29395787
UniProtP42028|NDUS8_BOVIN NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial (Gene Name=NDUFS8)

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