› 4ywp

X-ray diffraction
1.45Å resolution

Sucrose Binding Site in genetically engineered Carbonic anhydrase IX

Released:
DOI: 10.2210/pdb4ywp/pdb
PDB entry 4ywp coloured by chain, front view.
PDB entry 4ywp coloured by chain, side view.
PDB entry 4ywp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX.
Pinard MA, Aggarwal M, Mahon BP, Tu C, McKenna R
Acta Crystallogr F Struct Biol Commun 71 1352-8 (2015)
PMID: 26457530

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
Macromolecules (2 distinct):
Carbonic anhydrase 2 Chain: A
Molecule details ›
Chain: A
Length: 257 amino acids
Theoretical weight: 28.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00918 (Residues: 4-260; Coverage: 99%)
Gene name: CA2
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC, FRU
Carbohydrate polymer
1 bound ligand:
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE F1
Spacegroup: P21
Unit cell:
a: 41.845Å b: 41.24Å c: 72.275Å
α: 90° β: 103.76° γ: 90°
R-values:
R R work R free
0.163 0.162 0.19
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Advances in structure-based drug discovery of carbonic anhydrase inhibitors.
Supuran CT. (2017)
3 more

3 mentions without citation

A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX.
Pinard et al. (2015)
2 more