› 2nns

X-ray diffraction
1.03Å resolution

Structure of inhibitor binding to Carbonic Anhydrase II

Released:
DOI: 10.2210/pdb2nns/pdb
PDB entry 2nns coloured by chain, front view.
PDB entry 2nns coloured by chain, side view.
PDB entry 2nns coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural analysis of charge discrimination in the binding of inhibitors to human carbonic anhydrases I and II.
Srivastava DK, Jude KM, Banerjee AL, Haldar M, Manokaran S, Kooren J, Mallik S, Christianson DW
J Am Chem Soc 129 5528-37 (2007)
PMID: 17407288

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: 260 amino acids
Theoretical weight: 29.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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

4 bound ligands:
Ligand ZN 1 x ZN
Ligand CL 1 x CL
Ligand M25 2 x M25
Ligand GOL 1 x GOL
1 modified residue:
Ligand CMH 1 x CMH

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2, null
Spacegroup: P21
Unit cell:
a: 42.264Å b: 41.338Å c: 71.975Å
α: 90° β: 104.5° γ: 90°
R-values:
R R work R free
0.129 not available 0.164
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Structure, function and applications of carbonic anhydrase isozymes.
Imtaiyaz Hassan et al. (2013)
3 more

5 mentions without citation

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