Structure of PDB 5ldx Chain B Binding Site BS01

Receptor Information
>5ldx Chain B (length=147) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYVVAKLDDLINWARRSSLWPMTFGLACCAVEMMHMAAPRYDMDRFGVVF
RASPRQSDVMIVAGTLTNKMAPALRKVYDQMPEPRYVVSMGSCANGGGYY
HYSYSVVRGCDRIVPVDIYVPGCPPTAEALLYGILQLQKKIKREKRL
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 chain5ldx Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ldx Structure of mammalian respiratory complex I.
Resolution5.6 Å
Binding residue
(original residue number in PDB)		C54 C55 S118 C119 C149 P150
Binding residue
(residue number reindexed from 1)		C28 C29 S92 C93 C123 P124
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0048038 quinone binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5ldx, PDBe:5ldx, PDBj:5ldx
PDBsum5ldx
PubMed27509854
UniProtP42026|NDUS7_BOVIN NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial (Gene Name=NDUFS7)

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