› 7bm4

X-ray diffraction
1.6Å resolution

Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulphamoylphenyl)selenourea

Released:
DOI: 10.2210/pdb7bm4/pdb
PDB 7bm4 coloured by chain and viewed from the front.
PDB 7bm4 coloured by chain and viewed from the side.
PDB 7bm4 coloured by chain and viewed from the top.
Source organism: Schistosoma mansoni
Primary publication:
Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
Angeli A, Ferraroni M, Da'dara AA, Selleri S, Pinteala M, Carta F, Skelly PJ, Supuran CT
J Med Chem 64 10418-10428 (2021)
PMID: 34232641

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase Chains: A, B
Molecule details ›
Chains: A, B
Length: 332 amino acids
Theoretical weight: 37.93 KDa
Source organism: Schistosoma mansoni
Expression system: Cricetulus griseus
UniProt:
  • Canonical: A0A3Q0KSG2 (Residues: 21-298; Coverage: 92%)
Sequence domains: Eukaryotic-type carbonic anhydrase

Ligands and Environments

4 bound ligands:
Ligand GOL 2 x GOL
Ligand NAG 4 x NAG
Ligand ZN 2 x ZN
Ligand U3N 2 x U3N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 11.2C
Spacegroup: P3221
Unit cell:
a: 102.896Å b: 102.896Å c: 132.225Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.167 0.166 0.194
Expression system: Cricetulus griseus

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Citations

1 citations in other articles

Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies.
Ferraroni et al. (2022)