› 3iai

X-ray diffraction
2.2Å resolution

Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX

Released:
DOI: 10.2210/pdb3iai/pdb
PDB entry 3iai coloured by chain, front view.
PDB entry 3iai coloured by chain, side view.
PDB entry 3iai coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX.
Alterio V, Hilvo M, Di Fiore A, Supuran CT, Pan P, Parkkila S, Scaloni A, Pastorek J, Pastorekova S, Pedone C, Scozzafava A, Monti SM, De Simone G
Proc Natl Acad Sci U S A 106 16233-8 (2009)
PMID: 19805286

Function and Biology Details

Reaction catalysed: 
H(2)CO(3) = CO(2) + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172579 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Carbonic anhydrase 9 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 257 amino acids
Theoretical weight: 28.17 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q16790 (Residues: 137-391; Coverage: 60%)
Gene names: CA9, G250, MN
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
5 bound ligands:
Ligand ZN 4 x ZN
Ligand AZM 4 x AZM
Ligand GOL 25 x GOL
Ligand TRS 4 x TRS
Ligand PO4 5 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P61
Unit cell:
a: 144.18Å b: 144.18Å c: 208.89Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.157 0.157 0.181
Expression system: Spodoptera frugiperda

Quick links

Citations

51 review citations

Interfering with pH regulation in tumours as a therapeutic strategy.
Neri et al. (2011)
50 more

54 mentions without citation

Targeting carbonic anhydrase IX activity and expression.
Mahon et al. (2015)
53 more