Structure of PDB 3s8g Chain B Binding Site BS01

Receptor Information

>3s8g Chain B (length=166) Species: 300852 (Thermus thermophilus HB8)

DEHKAHKAILAYEKGWLAFSLAMLFVFIALIAYTLATHTAGVIPAGKLER
VDPTTVRQEGPWADPAQAVVQTGPNQYTVYVLAFAFGYQPNPIEVPQGAE
IVFKITSPDVIHGFHVEGTNINVEVLPGEVSTVRYTFKRPGEYRIICNQY
CGLGHQNMFGTIVVKE

Ligand information

• Ligand ID: CUA
• InChI: InChI=1S/2Cu
• InChIKey: ALKZAGKDWUSJED-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Cu][Cu]
• Formula: Cu2
• Name: DINUCLEAR COPPER ION
• PDB chain: 3s8g Chain B Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3s8g High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): H114 C149 Q151 C153 H157 M160
• Binding residue (residue number reindexed from 1): H112 C147 Q149 C151 H155 M158
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): F86 F88
• Catalytic site (residue number reindexed from 1): F84 F86
• Enzyme Commision number: 7.1.1.9: cytochrome-c oxidase.

Gene Ontology

Molecular Function

• GO:0004129 cytochrome-c oxidase activity
• GO:0005507 copper ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:1902600 proton transmembrane transport

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane

External links

• PDB: RCSB:3s8g, PDBe:3s8g, PDBj:3s8g
• PDBsum: 3s8g
• PubMed: 21814577
• UniProt: Q5SJ80|COX2_THET8 Cytochrome c oxidase subunit 2 (Gene Name=cbaB)