Structure of PDB 5xtd Chain B Binding Site BS01

Receptor Information
>5xtd Chain B (length=176) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYKYVNMQDPEMDMKSVTDRAARTLLWTELFRGLGMTLSYLFREPATINY
PFEKGPLSPRFRGEHALRRYPSGEERCIACKLCEAICPAQAITIEAEPRA
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 chain5xtd Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xtd Architecture of Human Mitochondrial Respiratory Megacomplex I2III2IV2.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		C111 A113 C114 K115 C117 I128 Y143 C160 A164
Binding residue
(residue number reindexed from 1)		C77 A79 C80 K81 C83 I94 Y109 C126 A130
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:5xtd, PDBe:5xtd, PDBj:5xtd
PDBsum5xtd
PubMed28844695
UniProtO00217|NDUS8_HUMAN NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial (Gene Name=NDUFS8)

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