› 1i90

X-ray diffraction
2Å resolution

CARBONIC ANHYDRASE II COMPLEXED WITH AL-8520 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-, 1,1-DIOXIDE, (R)

Released:
DOI: 10.2210/pdb1i90/pdb
PDB entry 1i90 coloured by chain, front view.
PDB entry 1i90 coloured by chain, side view.
PDB entry 1i90 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV.
Kim CY, Whittington DA, Chang JS, Liao J, May JA, Christianson DW
J Med Chem 45 888-93 (2002)
PMID: 11831900

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 domain:

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: 259 amino acids
Theoretical weight: 29.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00918 (Residues: 2-260; 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 INM 1 x INM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P21
Unit cell:
a: 42.4Å b: 42Å c: 72Å
α: 90° β: 104.4° γ: 90°
R-values:
R R work R free
0.158 0.158 0.234
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Carbonic anhydrase as a model for biophysical and physical-organic studies of proteins and protein-ligand binding.
Krishnamurthy et al. (2008)
2 more

1 mention without citation

From the similarity analysis of protein cavities to the functional classification of protein families using cavbase.
Kuhn et al. (2006)