› 3eft

X-ray diffraction
1.85Å resolution

Crystal structure of the complex between Carbonic Anhydrase II and a spin-labeled sulfonamide incorporating TEMPO moiety

Released:
DOI: 10.2210/pdb3eft/pdb
PDB entry 3eft coloured by chain, front view.
PDB entry 3eft coloured by chain, side view.
PDB entry 3eft coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Dissecting the inhibition mechanism of cytosolic versus transmembrane carbonic anhydrases by ESR.
Ciani L, Cecchi A, Temperini C, Supuran CT, Ristori S
J Phys Chem B 113 13998-4005 (2009)
PMID: 19778001

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: Not provided
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 HG 1 x HG
Ligand 3BS 1 x 3BS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION ENHANCE ULTRA
Spacegroup: P21
Unit cell:
a: 42.13Å b: 41.5Å c: 72.31Å
α: 90° β: 104.3° γ: 90°
R-values:
R R work R free
0.195 0.192 0.24
Expression system: Not provided

Quick links

Citations

2 review citations

Carbonic anhydrase inhibitors.
Supuran CT. (2010)
1 more