Crystal structure of human carbonic anhydrase isozyme II with 2- chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl) THIO]ACETYL}BENZENESULFONAMIDE

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 30% strand (DSSP).

Ligands and binding sites

• EWW · 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide · ligand · chains A
• ZN · Zinc ion · metal · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 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

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

Compared structures

• 4QSA · Crystal structure of human carbonic anhydrase isozyme II 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 4QSA · PDBe 4QSA · UniProt P00918