› 4qef

X-ray diffraction
1.47Å resolution

Human Carbonic Anhydrase II V207I - cyanate inhibitor complex

Released:
DOI: 10.2210/pdb4qef/pdb
PDB entry 4qef coloured by chain, front view.
PDB entry 4qef coloured by chain, side view.
PDB entry 4qef coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest.
West D, Pinard MA, Tu C, Silverman DN, McKenna R
Acta Crystallogr F Struct Biol Commun 70 1324-7 (2014)
PMID: 25286933

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: 29.3 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 0NM 1 x 0NM
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: 42.356Å b: 41.463Å c: 72.461Å
α: 90° β: 104.39° γ: 90°
R-values:
R R work R free
0.125 0.123 0.158
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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)
1 more

3 mentions without citation

Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest.
West et al. (2014)
2 more