Structure of PDB 6gcs Chain K Binding Site BS01

Receptor Information

>6gcs Chain K (length=169) Species: 4952 (Yarrowia lipolytica)

PTDFPLPSQQKPNSAVDYTLTTLDAVANWARQGSFWPVTFGLACCAVEMM
HVSAPRYDQDRLGIIFRASPRQSDIMIVAGTLTNKMAPVLRQVYDQMPEP
RWVISMGSCANGGGYYHFSYSVVRGCDRIVPVDVYVPGCPPTSEALMYGV
FQLQRKMRNTKITRMWYRK

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 6gcs Chain K Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6gcs Cryo-EM structure of respiratory complex I at work.
• Resolution: 4.32 Å
• Binding residue (original residue number in PDB): C85 C86 G121 G148 S149 C150 C180 P181
• Binding residue (residue number reindexed from 1): C44 C45 G80 G107 S108 C109 C139 P140
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.6.99.3: Deleted entry.

Gene Ontology

Molecular Function

• GO:0008137 NADH dehydrogenase (ubiquinone) activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0048038 quinone binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009060 aerobic respiration
• GO:0015990 electron transport coupled proton transport
• GO:0032981 mitochondrial respiratory chain complex I assembly

Cellular Component

• GO:0005739 mitochondrion

External links

• PDB: RCSB:6gcs, PDBe:6gcs, PDBj:6gcs
• PDBsum: 6gcs
• PubMed: 30277212
• UniProt: Q9UUT7