Structure of PDB 7rh5 Chain Q Binding Site BS02

Receptor Information

>7rh5 Chain Q (length=312) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

WSDALALGWPTGITPEAKLNRELWIGSVIASFAVGAIVWGLIFWTSAFHR
KKATDTELPRQFGYNMPLELTLTVIPFLIISVLFYFTVVVQERMMHKDPN
PEVVIDVTAFQWNWKFGYQKIAFADGSFDYDGADPERKEAMTSRPEGKDE
HGIEKVGPIRGMTPEDRTYLNFDKIETLGTSSEIPVLVLPAGKRIEFVLN
SADVIHGFWVPEFLFKRDVLPEPKANNSDNVFQVSEIQQTGAFVGRCTEM
CGTFHAMMNFEVRVVEPNDFKAYIDQRNAGKTNAEALAAINQPPLAITTE
PFESRRGELVPQ

Ligand information

• Ligand ID: CU
• InChI: InChI=1S/Cu/q+2
• InChIKey: JPVYNHNXODAKFH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cu+2]
  CACTVS 3.341: [Cu++]
• Formula: Cu
• Name: COPPER (II) ION
• DrugBank: DB14552
• PDB chain: 7rh5 Chain Q Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rh5 Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203).
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): H232 C277
• Binding residue (residue number reindexed from 1): H206 C251
• Annotation score: 1

Enzymatic activity

• 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:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0042773 ATP synthesis coupled electron transport
• GO:1902600 proton transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:7rh5, PDBe:7rh5, PDBj:7rh5
• PDBsum: 7rh5
• PubMed: 34590581
• UniProt: A0R057