› 2w3n

X-ray diffraction
2.05Å resolution

Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans

Released:
DOI: 10.2210/pdb2w3n/pdb
PDB entry 2w3n coloured by chain, front view.
PDB entry 2w3n coloured by chain, side view.
PDB entry 2w3n coloured by chain, top view.
Source organism: Cryptococcus neoformans
Primary publication:
Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans.
Schlicker C, Hall RA, Vullo D, Middelhaufe S, Gertz M, Supuran CT, Mühlschlegel FA, Steegborn C
J Mol Biol 385 1207-20 (2009)
PMID: 19071134

Function and Biology Details

Reaction catalysed: 
H(2)CO(3) = CO(2) + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174571 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 239 amino acids
Theoretical weight: 26.63 KDa
Source organism: Cryptococcus neoformans
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q3I4V7 (Residues: 1-239; Coverage: 100%)
Gene name: CAN2
Sequence domains: Carbonic anhydrase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand ZN 3 x ZN
Ligand ACT 3 x ACT
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: C2
Unit cell:
a: 177.98Å b: 56.59Å c: 83.22Å
α: 90° β: 116.58° γ: 90°
R-values:
R R work R free
0.189 0.187 0.231
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 review citations

Carbonic anhydrase inhibitors.
Supuran CT. (2010)
14 more

7 mentions without citation

A Highlight on the Inhibition of Fungal Carbonic Anhydrases as Drug Targets for the Antifungal Armamentarium.
Supuran et al. (2021)
6 more