PDBe 3s78

X-ray diffraction
1.98Å resolution

The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonic anhydrase 2 Chain: B
Molecule details ›
Chain: B
Length: 258 amino acids
Theoretical weight: 29.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00918 (Residues: 3-260; Coverage: 99%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Carbonic Anhydrase II

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P21
Unit cell:
a: 41.985Å b: 40.958Å c: 71.637Å
α: 90° β: 104.27° γ: 90°
R-values:
R R work R free
0.176 0.173 0.226
Expression system: Escherichia coli BL21(DE3)