Structure of PDB 4wz7 Chain K Binding Site BS01

Receptor Information
>4wz7 Chain K (length=147) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPNSAVDYTLTTLDAVANWARQGSFWPVTFGLACCAVEMMHVSAPRYDQD
RIIFRASPRQSDIMIVAGTLTNKMAPVLRQVYDQMPEPRWVISMGSCANG
HFSYSVVRGCDRIVPVDVYVPGCPPTSEALMYGVFQLQRKMRNTKIT
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 chain4wz7 Chain K Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wz7 Structural biology. Mechanistic insight from the crystal structure of mitochondrial complex I.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		C85 C86 G121 G148 S149 C150 C180 P181
Binding residue
(residue number reindexed from 1)		C34 C35 G68 G95 S96 C97 C123 P124
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.99.3: Deleted entry.
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:4wz7, PDBe:4wz7, PDBj:4wz7
PDBsum4wz7
PubMed25554780
UniProtQ9UUT7

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