Structure of PDB 3ucn Chain B Binding Site BS01

Receptor Information

>3ucn Chain B (length=222) Species: 41892 (Coccomyxa sp. PA)

TADLSPLLEANRKWADECAAKDSTYFSKVAGSQAPEYLYIGCADSRVSPA
QLFNMAPGEVFVQRNVGNLVSNKDLNCMSCLEYTVDHLKIKHILVCGHYN
CGACKAGLVWHPKTAGVTNLWISDVREVRDKNAAKLHGLSADDAWDKMVE
LNVEAQVFNVCASPIVQAAWARGQPLSVHGIVYTPGTGLVKELIKPITGM
EDAGALLRADLKQHCFFSESLA

Ligand information

• Ligand ID: AZI
• InChI: InChI=1S/N3/c1-3-2/q-1
• InChIKey: IVRMZWNICZWHMI-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [N-]=[N+]=[N-]
• Formula: N3
• Name: AZIDE ION
• ChEMBL: CHEMBL79455
• PDB chain: 3ucn Chain A Residue 230

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ucn Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): C47 D49 C106 G107
• Binding residue (residue number reindexed from 1): C42 D44 C101 G102
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C47 D49 R51 H103 C106
• 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

External links

• PDB: RCSB:3ucn, PDBe:3ucn, PDBj:3ucn
• PDBsum: 3ucn
• PubMed: 22162771
• UniProt: Q96554