› 4ruy

X-ray diffraction
1.14Å resolution

Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide

Released:
DOI: 10.2210/pdb4ruy/pdb
PDB 4ruy coloured by chain and viewed from the front.
PDB 4ruy coloured by chain and viewed from the side.
PDB 4ruy coloured by chain and viewed from the top.
Source organism: Homo sapiens
Entry authors: Pinard MA, Mckenna R

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (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 3W6 2 x 3W6
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: P21
Unit cell:
a: 42.271Å b: 41.107Å c: 71.663Å
α: 90° β: 104.29° γ: 90°
R-values:
R R work R free
0.202 0.201 0.216
Expression system: Escherichia coli

Quick links

Citations

12 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)
11 more