› 6g9u

X-ray diffraction
1.75Å resolution

Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide

Released:
DOI: 10.2210/pdb6g9u/pdb
PDB entry 6g9u coloured by chain, front view.
PDB entry 6g9u coloured by chain, side view.
PDB entry 6g9u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
Kazokaitė J, Niemans R, Dudutienė V, Becker HM, Leitāns J, Zubrienė A, Baranauskienė L, Gondi G, Zeidler R, Matulienė J, Tārs K, Yaromina A, Lambin P, Dubois LJ, Matulis D
Oncotarget 9 26800-26816 (2018)
PMID: 29928486

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
Macromolecule:
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: Komagataella pastoris
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

2 bound ligands:
Ligand ZN 4 x ZN
Ligand ETK 4 x ETK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: R3
Unit cell:
a: 152.38Å b: 152.38Å c: 171.84Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.169 0.168 0.189
Expression system: Komagataella pastoris

Quick links

Citations

2 review citations

3D Cell Culture Models as Recapitulators of the Tumor Microenvironment for the Screening of Anti-Cancer Drugs.
Barbosa et al. (2021)
1 more

5 mentions without citation

Betulin Sulfonamides as Carbonic Anhydrase Inhibitors and Anticancer Agents in Breast Cancer Cells.
Güttler et al. (2021)
4 more