Structure of PDB 7dkf Chain E2 Binding Site BS01

Receptor Information
>7dkf Chain E2 (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 chain7dkf Chain E2 Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7dkf A Dynamic Substrate Pool Revealed by cryo-EM of a Lipid-Preserved Respiratory Supercomplex.
Resolution8.3 Å
Binding residue
(original residue number in PDB)		H101 C123 P124 C152 I153 Y154 C155 G156 F157 C158
Binding residue
(residue number reindexed from 1)		H65 C87 P88 C116 I117 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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:7dkf, PDBe:7dkf, PDBj:7dkf
PDBsum7dkf
PubMed34913730
UniProtP42028|NDUS8_BOVIN NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial (Gene Name=NDUFS8)

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