› 2pov

X-ray diffraction
1.6Å resolution

The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-chloro-benzene-1,3-disulfonamide

Released:
DOI: 10.2210/pdb2pov/pdb
PDB entry 2pov coloured by chain, front view.
PDB entry 2pov coloured by chain, side view.
PDB entry 2pov coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Carbonic anhydrase inhibitors: inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides--solution and crystallographic studies.
Alterio V, De Simone G, Monti SM, Scozzafava A, Supuran CT
Bioorg Med Chem Lett 17 4201-7 (2007)
PMID: 17540563

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-133681 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 2 Chain: A
Molecule details ›
Chain: A
Length: 259 amino acids
Theoretical weight: 29.16 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00918 (Residues: 1-259; Coverage: 100%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 1 x ZN
Ligand I7B 1 x I7B
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P21
Unit cell:
a: 41.93Å b: 41.15Å c: 71.95Å
α: 90° β: 104.3° γ: 90°
R-values:
R R work R free
0.188 0.188 0.213

Quick links

Citations

5 review citations

Structure-based drug discovery of carbonic anhydrase inhibitors.
Supuran CT. (2012)
4 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