› 2pow

X-ray diffraction
1.75Å resolution

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

Released:
DOI: 10.2210/pdb2pow/pdb
PDB 2pow coloured by chain and viewed from the front.
PDB 2pow coloured by chain and viewed from the side.
PDB 2pow coloured by chain and viewed from the top.
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

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 2 Chain: A
Molecule details ›
Chain: A
Length: 260 amino acids
Theoretical weight: 29.29 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00918 (Residues: 1-260; 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 I7C 1 x I7C
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P21
Unit cell:
a: 41.98Å b: 41.4Å c: 72.03Å
α: 90° β: 104.23° γ: 90°
R-values:
R R work R free
0.184 0.184 0.212

Quick links

Citations

5 review citations

α-CAs from Photosynthetic Organisms.
Langella et al. (2022)
4 more

3 mentions without citation

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