Structure of PDB 4hea Chain O Binding Site BS02

Receptor Information

>4hea Chain O (length=180) Species: 300852 (Thermus thermophilus HB8)

TLKALAQSLGITLKYLFSKPVTVPYPDAPVALKPRFHGRHVLTRHPNGLE
KCIGCSLCAAACPAYAIYVEPAENDPENPVSAGERYAKVYEINMLRCIFC
GLCEEACPTGAIVLGYDFEMADYEYSDLVYGKEDMLVDVVGTKPQRREAK
RTGKPVKVGYVVPYVRPELEGFKAPTEGGK

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: 4hea Chain O Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hea Crystal structure of the entire respiratory complex I.
• Resolution: 3.3027 Å
• Binding residue (original residue number in PDB): C53 G55 C56 S57 L58 C59 Y91 C108 P109 A112 I113
• Binding residue (residue number reindexed from 1): C52 G54 C55 S56 L57 C58 Y90 C107 P108 A111 I112
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.1.1.-

Gene Ontology

Molecular Function

• GO:0003954 NADH dehydrogenase activity
• GO:0005506 iron ion binding
• GO:0016651 oxidoreductase activity, acting on NAD(P)H
• GO:0046872 metal ion binding
• GO:0048038 quinone binding
• GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009060 aerobic respiration

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:4hea, PDBe:4hea, PDBj:4hea
• PDBsum: 4hea
• PubMed: 23417064
• UniProt: Q56224|NQO9_THET8 NADH-quinone oxidoreductase subunit 9 (Gene Name=nqo9)