› 7cxy

X-ray diffraction
2.2Å resolution

Structural insights into novel mechanisms of inhibition of the major b-carbonic anhydrase CafB from the pathogenic fungus Aspergillus fumigatus (zinc-bound form)

Released:
DOI: 10.2210/pdb7cxy/pdb
Model geometry
Fit model/data
PDB entry 7cxy coloured by chain, front view.
PDB entry 7cxy coloured by chain, side view.
PDB entry 7cxy coloured by chain, top view.
Source organism: Aspergillus fumigatus Af293
Primary publication:
Structural insights into novel mechanisms of inhibition of the major β-carbonic anhydrase CafB from the pathogenic fungus Aspergillus fumigatus.
Kim S, Yeon J, Sung J, Kim NJ, Hong S, Jin MS
J Struct Biol 213 107700 (2021)
PMID: 33545350

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107267 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase Chains: A, B
Molecule details ›
Chains: A, B
Length: 228 amino acids
Theoretical weight: 26 KDa
Source organism: Aspergillus fumigatus Af293
Expression system: Escherichia coli
UniProt:
  • Canonical: A4DA32 (Residues: 1-228; Coverage: 100%)
Gene name: AFUA_8G06550
Sequence domains: Carbonic anhydrase

Ligands and Environments

1 bound ligand:
Ligand ZN 2 x ZN
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PAL/PLS BEAMLINE 11C
Spacegroup: P3221
Unit cell:
a: 119.862Å b: 119.862Å c: 67.587Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.184 0.229
Expression system: Escherichia coli

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Citations

1 review citation

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