› 6qn0

X-ray diffraction
1.89Å resolution

Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide

Released:
DOI: 10.2210/pdb6qn0/pdb
PDB entry 6qn0 coloured by chain, front view.
PDB entry 6qn0 coloured by chain, side view.
PDB entry 6qn0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Zakšauskas A, Čapkauskaitė E, Jezepčikas L, Linkuvienė V, Paketurytė V, Smirnov A, Leitans J, Kazaks A, Dvinskis E, Manakova E, Gražulis S, Tars K, Matulis D
Eur J Med Chem 185 111825 (2020)
PMID: 31740053

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129005 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 12 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 263 amino acids
Theoretical weight: 29.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O43570 (Residues: 30-291; Coverage: 79%)
Gene name: CA12
Sequence domains: Eukaryotic-type carbonic anhydrase

Ligands and Environments

2 bound ligands:
Ligand ZN 4 x ZN
Ligand J8Q 4 x J8Q
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P1
Unit cell:
a: 45.76Å b: 74.76Å c: 76.23Å
α: 90.02° β: 74.32° γ: 90°
R-values:
R R work R free
0.168 0.165 0.225
Expression system: Escherichia coli

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Citations

1 review citation

Reconsidering anion inhibitors in the general context of drug design studies of modulators of activity of the classical enzyme carbonic anhydrase.
Nocentini et al. (2021)
6 other articles