Structure of PDB 7e1w Chain Q Binding Site BS01

Receptor Information

>7e1w Chain Q (length=283) Species: 1445611 (Mycolicibacterium smegmatis MC2 51)

WSDALALGWPTGITPEAKLNRELWIGSVIASFAVGAIVWGLIFWTSAFHR
KKATDTELPRQFGYNMPLELTLTVIPFLIISVLFYFTVVVQERMMHKDPN
PEVVIDVTAFQWNWKFGYQKIAFADGSFDYDGADPERKTYLNFDKIETLG
TSSEIPVLVLPAGKRIEFVLNSADVIHGFWVPEFLFKRDVLPEPKANNSD
NVFQVSEIQQTGAFVGRCTEMCGTFHAMMNFEVRVVEPNDFKAYIDQRNA
GKTNAEALAAINQPPLAITTEPFESRRGELVPQ

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: 7e1w Chain Q Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7e1w Structure of Mycobacterium tuberculosis cytochrome bcc in complex with Q203 and TB47, two anti-TB drug candidates.
• Resolution: 2.67 Å
• Binding residue (original residue number in PDB): C273 C277 H281
• Binding residue (residue number reindexed from 1): C218 C222 H226
• 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:7e1w, PDBe:7e1w, PDBj:7e1w
• PDBsum: 7e1w
• PubMed: 34819223
• UniProt: A0R057