› 4e5q

X-ray diffraction
1.7Å resolution

Human Carbonic Anhydrase II in complex with cyanate

Released:
DOI: 10.2210/pdb4e5q/pdb
PDB entry 4e5q coloured by chain, front view.
PDB entry 4e5q coloured by chain, side view.
PDB entry 4e5q 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: 29.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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

2 bound ligands:
Ligand ZN 1 x ZN
Ligand 0NM 1 x 0NM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P21
Unit cell:
a: 42.192Å b: 41.01Å c: 71.536Å
α: 90° β: 104.51° γ: 90°
R-values:
R R work R free
0.174 0.172 0.201
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Thermodynamic, kinetic, and structural parameterization of human carbonic anhydrase interactions toward enhanced inhibitor design.
Linkuvienė et al. (2018)
1 other article

2 mentions without 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)
1 more