Structure of PDB 4o1j Chain A Binding Site BS01

Receptor Information

>4o1j Chain A (length=197) Species: 5147 (Sordaria macrospora)

ENTFHYALSSNNAWAGYKAHQNPHFFPKLAGGQAPEILWIGCSDSRCPET
TILGMQPGDVFVHRNIANIVSPTDINTTAVIEYAVAHLKVKHIVLCGHSA
CGGAAGALSDGRIGGVLDTWLLPLKTVRYNHAEELDAITDEKERVIRIAQ
LNVEAGIKVLMNNPTIREAIAERGLEVHGVFFDIGCGRIKELGCGTA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4o1j Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4o1j Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.
• Resolution: 2.695 Å
• Binding residue (original residue number in PDB): C45 H101 C104
• Binding residue (residue number reindexed from 1): C42 H98 C101
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C45 D47 R49 H101 C104
• Catalytic site (residue number reindexed from 1): C42 D44 R46 H98 C101
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.

Gene Ontology

Molecular Function

• GO:0004089 carbonate dehydratase activity
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0015976 carbon utilization
• GO:0034599 cellular response to oxidative stress
• GO:0071244 cellular response to carbon dioxide

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4o1j, PDBe:4o1j, PDBj:4o1j
• PDBsum: 4o1j
• PubMed: 24506675
• UniProt: F7VW42