Structure of PDB 2fug Chain X Binding Site BS01

Receptor Information

>2fug Chain X (length=144) Species: 300852 (Thermus thermophilus HB8)

EREGILFTTLEKLVAWGRSNSLWPATFGLACCAIEMMASTDAQADVMIVA
GRLSKKMAPVMRRVWEQMPDPKWVISMGACASSGGMFNNYAIVQNVDSVV
PVDVYVPGCPPRPEALIYAVMQLQKKVRGQAYNERGERLPPVAA

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: 2fug Chain X Residue 182

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2fug Structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): C45 C46 G82 R83 A110 C111 C140 P141
• Binding residue (residue number reindexed from 1): C31 C32 G51 R52 A79 C80 C109 P110
• 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

External links

• PDB: RCSB:2fug, PDBe:2fug, PDBj:2fug
• PDBsum: 2fug
• PubMed: 16469879
• UniProt: Q56218|NQO6_THET8 NADH-quinone oxidoreductase subunit 6 (Gene Name=nqo6)