Structure of PDB 1hcb Chain A Binding Site BS02

Receptor Information

>1hcb Chain A (length=258) Species: 9606 (Homo sapiens)

PDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYN
PATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNE
HGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGE
ANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPP
LYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLK
GRTVRASF

Ligand information

• Ligand ID: BCT
• InChI: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
• InChIKey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)(O)[O-]
  CACTVS 3.341: OC([O-])=O
  ACDLabs 10.04: [O-]C(=O)O
• Formula: C H O3
• Name: BICARBONATE ION
• PDB chain: 1hcb Chain A Residue 522

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1hcb Enzyme-substrate interactions. Structure of human carbonic anhydrase I complexed with bicarbonate.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): H94 H96 H119 T199
• Binding residue (residue number reindexed from 1): H92 H94 H117 T197
• Annotation score: 5
• Binding affinity: BindingDB: Ki=12000000nM

Enzymatic activity

• Catalytic site (original residue number in PDB): H64 H94 H96 E106 H119 T199
• Catalytic site (residue number reindexed from 1): H62 H92 H94 E104 H117 T197
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.
  4.2.1.69: cyanamide hydratase.

Gene Ontology

Molecular Function

• GO:0004064 arylesterase activity
• GO:0004089 carbonate dehydratase activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0016836 hydro-lyase activity
• GO:0018820 cyanamide hydratase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006730 one-carbon metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:1hcb, PDBe:1hcb, PDBj:1hcb
• PDBsum: 1hcb
• PubMed: 8057362
• UniProt: P00915|CAH1_HUMAN Carbonic anhydrase 1 (Gene Name=CA1)