› 5fl6

X-ray diffraction
1.95Å resolution

Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide

Released:
DOI: 10.2210/pdb5fl6/pdb
PDB entry 5fl6 coloured by chain, front view.
PDB entry 5fl6 coloured by chain, side view.
PDB entry 5fl6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Efficient Expression and Crystallization System of Cancer-Associated Carbonic Anhydrase Isoform IX.
Leitans J, Kazaks A, Balode A, Ivanova J, Zalubovskis R, Supuran CT, Tars K
J Med Chem 58 9004-9 (2015)
PMID: 26522624

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172577 (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

4 bound ligands:
Ligand Y0R 4 x Y0R
Ligand ZN 4 x ZN
Ligand GOL 4 x GOL
Ligand ACY 2 x ACY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-3
Spacegroup: R3
Unit cell:
a: 153.22Å b: 153.22Å c: 170.81Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.171 0.169 0.2
Expression system: Komagataella pastoris

Quick links

Citations

5 review citations

Inhibition of carbonic anhydrase IX targets primary tumors, metastases, and cancer stem cells: Three for the price of one.
Supuran et al. (2018)
4 more

7 mentions without citation

Antimicrobial, Antioxidant, and Antiproliferative Effects of Coronilla minima: An Unexplored Botanical Species.
Ferrante et al. (2020)
6 more