› 3mzc

X-ray diffraction
1.5Å resolution

Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor

Released:
DOI: 10.2210/pdb3mzc/pdb
PDB entry 3mzc coloured by chain, front view.
PDB entry 3mzc coloured by chain, side view.
PDB entry 3mzc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.
Pacchiano F, Aggarwal M, Avvaru BS, Robbins AH, Scozzafava A, McKenna R, Supuran CT
Chem Commun (Camb) 46 8371-3 (2010)
PMID: 20922253

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133681 (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
Expression system: Escherichia coli
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

3 bound ligands:
Ligand ZN 1 x ZN
Ligand S6I 1 x S6I
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P21
Unit cell:
a: 42.452Å b: 41.448Å c: 72.032Å
α: 90° β: 104.11° γ: 90°
R-values:
R R work R free
0.157 0.156 0.187
Expression system: Escherichia coli

Quick links

Citations

18 review citations

Structure-based drug discovery of carbonic anhydrase inhibitors.
Supuran CT. (2012)
17 more

1 mention without citation

Discovery of novel 1,3-diaryltriazene sulfonamides as carbonic anhydrase I, II, VII, and IX inhibitors.
Akocak et al. (2018)