› 5cjf

X-ray diffraction
1.83Å resolution

The crystal structure of the human carbonic anhydrase XIV in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor.

Released:
DOI: 10.2210/pdb5cjf/pdb
PDB entry 5cjf coloured by chain, front view.
PDB entry 5cjf coloured by chain, side view.
PDB entry 5cjf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors.
La Regina G, Coluccia A, Famiglini V, Pelliccia S, Monti L, Vullo D, Nuti E, Alterio V, De Simone G, Monti SM, Pan P, Parkkila S, Supuran CT, Rossello A, Silvestri R
J Med Chem 58 8564-72 (2015)
PMID: 26497049

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-193944 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Carbonic anhydrase 14 Chain: A
Molecule details ›
Chain: A
Length: 279 amino acids
Theoretical weight: 31.32 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9ULX7 (Residues: 16-290; Coverage: 85%)
Gene names: CA14, UNQ690/PRO1335
Sequence domains: Eukaryotic-type carbonic anhydrase
Structure domains: Alpha carbonic anhydrase

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
4 bound ligands:
Ligand ZN 1 x ZN
Ligand 520 1 x 520
Ligand GOL 2 x GOL
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P41212
Unit cell:
a: 88.495Å b: 88.495Å c: 108.736Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.197 0.216
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Pharmaceutical and medicinal significance of sulfur (SVI)-Containing motifs for drug discovery: A critical review.
Zhao et al. (2019)
2 more

3 mentions without citation

Acipimox inhibits human carbonic anhydrases.
Mori et al. (2022)
2 more