Structure of PDB 7dgq Chain E Binding Site BS02

Receptor Information
>7dgq Chain E (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 chain7dgq Chain E Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dgq A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Resolution5.0 Å
Binding residue
(original residue number in PDB)		C113 I114 A115 C116 K117 C119 C162 I167
Binding residue
(residue number reindexed from 1)		C77 I78 A79 C80 K81 C83 C126 I131
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:7dgq, PDBe:7dgq, PDBj:7dgq
PDBsum7dgq
PubMed34913730
UniProtP42028|NDUS8_BOVIN NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial (Gene Name=NDUFS8)

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