Crystal structure of human carbonic anhydraseisozyme II with 3-[(1S)- 2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl) SULFONYL]BENZENESULFONAMIDE

Structure

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

Ligands and binding sites

• BCN · Bicine · ligand · chains A
• 5EF · 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl) sulfonyl]benzenesulfonamide · ligand · chains A
• ZN · Zinc ion · metal · chains A
• DMS · Dimethyl sulfoxide · additive · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · 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

• 5DRS · Crystal structure of human carbonic anhydraseisozyme 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 1.00

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 5DRS · PDBe 5DRS · UniProt P00918