3s74

X-ray diffraction
1.4Å resolution

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

Released:

Function and Biology Details

Reactions catalysed:
H(2)CO(3) = CO(2) + H(2)O
Urea = cyanamide + H(2)O
Biochemical function:
Cellular component:

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: 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: Alpha carbonic anhydrase

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: 42.22Å b: 41.21Å c: 72.086Å
α: 90° β: 104.61° γ: 90°
R-values:
R R work R free
0.167 0.165 0.203
Expression system: Escherichia coli BL21(DE3)