Structure of PDB 7q5y Chain X Binding Site BS01

Receptor Information

>7q5y Chain X (length=135) Species: 224324 (Aquifex aeolicus VF5)

WGRRNSLWPVTIGLACCAIEMMHTAASRFDLDRLGVIFRASPRQADVLIV
AGTVVNKVAPMLKLIWDQMPDPKWCISMGGCASAGGPFPTYSTLQGVDRI
IPVDVYIPGCPPTPQGLIYGILQLQRKIKEQGITK

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: 7q5y Chain X Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7q5y Structure of NADH:ubichinon oxidoreductase (complex I) of the hyperthermophilic eubacterium Aquifex aeolicus
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): C35 C36 G71 T72 C100 C129 P130
• Binding residue (residue number reindexed from 1): C16 C17 G52 T53 C81 C110 P111
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.1.1.-

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0008137 NADH dehydrogenase (ubiquinone) activity
• GO:0046872 metal ion binding
• GO:0048038 quinone binding
• GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
• 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

Cellular Component

• GO:0005886 plasma membrane
• GO:0045271 respiratory chain complex I

External links

• PDB: RCSB:7q5y, PDBe:7q5y, PDBj:7q5y
• PDBsum: 7q5y
• UniProt: O67334|NUOB_AQUAE NADH-quinone oxidoreductase subunit B (Gene Name=nuoB)