Structure of PDB 3uck Chain B Binding Site BS01

Receptor Information

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

TADLSPLLEANRKWADECAAKDSTYFSKVAGSQAPEYLYIGCADSRVSPA
QLFNMAPGEVFVQRNVGNLVSNKDLNCMSCLEYTVDHLKIKHILVCGHYN
CGACKAGLVWHPKTAGVTNLWISDVREVRDKNAAKLHGLSADDAWDKMVE
LNVEAQVFNVCASPIVQAAWARGQPLSVHGIVYTPGTGLVKELIKPITGM
EDAGALLRADLKQHCFFSESLA

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 3uck Chain A Residue 229

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3uck Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): F66 Y88
• Binding residue (residue number reindexed from 1): F61 Y83
• 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:3uck, PDBe:3uck, PDBj:3uck
• PDBsum: 3uck
• PubMed: 22162771
• UniProt: Q96554