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

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 28% strand (DSSP).

Ligands and binding sites

• 520 · 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
• MAN · alpha-D-mannopyranose · sugar · 2 copies
• BMA · beta-D-mannopyranose · sugar
• ZN · Zinc ion · metal · chains A
• SO4 · Sulfate ion · ion · chains A
• GOL · Glycerol · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

• 5CJF · The crystal structure of the human carbonic anhydrase XIV in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9ULX7 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 14 (Q9ULX7) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9ULX7
• Elsewhere: RCSB PDB 5CJF · PDBe 5CJF · UniProt Q9ULX7