› 2fw4

X-ray diffraction
2Å resolution

Carbonic anhydrase activators. The first X-ray crystallographic study of an activator of isoform I, structure with L-histidine.

Released:
DOI: 10.2210/pdb2fw4/pdb
PDB entry 2fw4 coloured by chain, front view.
PDB entry 2fw4 coloured by chain, side view.
PDB entry 2fw4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Carbonic anhydrase activators: the first X-ray crystallographic study of an adduct of isoform I.
Temperini C, Scozzafava A, Supuran CT
Bioorg Med Chem Lett 16 5152-6 (2006)
PMID: 16870440

Function and Biology Details

Reactions catalysed: 
H(2)CO(3) = CO(2) + H(2)O
Urea = cyanamide + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133680 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 260 amino acids
Theoretical weight: 28.77 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00915 (Residues: 2-261; Coverage: 100%)
Gene name: CA1
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 2 x ZN
Ligand HIS 2 x HIS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION ENHANCE ULTRA
Spacegroup: P212121
Unit cell:
a: 62.138Å b: 70.182Å c: 120.573Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.213 0.303

Quick links

Citations

4 review citations

Carbonic anhydrases: novel therapeutic applications for inhibitors and activators.
Supuran CT. (2008)
3 more

4 mentions without citation

Carbonic anhydrase as a model for biophysical and physical-organic studies of proteins and protein-ligand binding.
Krishnamurthy et al. (2008)
3 more