Crystal structure of chimeric carbonic anhydrase I with 3- (benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl) SULFONYL]BENZENESULFONAMIDE

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 29% strand (DSSP).

Ligands and binding sites

• BCN · Bicine · ligand · 3 copies · chains A
• WWO · 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl) sulfonyl]benzenesulfonamide · ligand · 2 copies · chains A
• ZN · Zinc ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A
• DMS · Dimethyl sulfoxide · additive · chains A
• PEG · Di(hydroxyethyl)ether · additive · 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.

Compared structures

• 5OGO · Crystal structure of chimeric carbonic anhydrase I with… · the same entry in another collection · chain A against A, TM-score 1.00
• P00918 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00918) · 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 P00918
• Elsewhere: RCSB PDB 5OGO · PDBe 5OGO · UniProt P00918