Structure of PDB 6rfs Chain K Binding Site BS01

Receptor Information
>6rfs Chain K (length=170) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPTDFPLPSQQKPNSAVDYTLTTLDAVANWARQGSFWPVTFGLACCAVEM
MHVSAPRYDQDRLGIIFRASPRQSDIMIVAGTLTNKMAPVLRQVYDQMPE
PRWVISMGSCANGGGYYHFSYSVVRGCDRIVPVDVYVPGCPPTSEALMYG
VFQLQRKMRNTKITRMWYRK
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 chain6rfs Chain K Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rfs High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease.
Resolution4.04 Å
Binding residue
(original residue number in PDB)		C85 C86 G121 T122 G148 S149 C150 C180
Binding residue
(residue number reindexed from 1)		C45 C46 G81 T82 G108 S109 C110 C140
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:6rfs, PDBe:6rfs, PDBj:6rfs
PDBsum6rfs
PubMed31844670
UniProtQ6C2Q1

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