Structure of PDB 2hfw Chain A Binding Site BS01

Receptor Information

>2hfw Chain A (length=257) Species: 9606 (Homo sapiens)

EWGYASHNGPDHWHELFPNAKGENQSPIELHTKDIRHDPSLQPWSVSYDG
GSAKTILNNGHTCNVVFDDTYDRSMLRGGPLPGPYRLRQFHLHWGSSDDH
GSEHTVDGVKYAAELHLVHWNPKYNTFKEALKQRDGIAVIGIFLKIGHEN
GEFQIFLDALDKIKTKGKEAPFTKFDPSSLFPASRDYWTYQGSFTTPPCE
ECIVWLLLKEPMTVSSDQMAKLRSLLSSAENEPPVPLVSNWRPPQPINNR
VVRASFK

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: 2hfw Chain A Residue 262

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hfw Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): H94 H96 H119
• Binding residue (residue number reindexed from 1): H91 H93 H116
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H64 H94 H96 E106 H119 T199
• Catalytic site (residue number reindexed from 1): H61 H91 H93 E103 H116 T195
• Enzyme Commision number: 4.2.1.1: carbonic anhydrase.

Gene Ontology

Molecular Function

• GO:0004089 carbonate dehydratase activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016151 nickel cation binding
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006730 one-carbon metabolic process
• GO:0009617 response to bacterium

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2hfw, PDBe:2hfw, PDBj:2hfw
• PDBsum: 2hfw
• PubMed: 17427958
• UniProt: P07451|CAH3_HUMAN Carbonic anhydrase 3 (Gene Name=CA3)