Carbonic anhydrase II complexed with 2-((2-CYANOETHYL)(PHENETHYL) amino)-N-phenethyl-N-(4-SULFAMOYLPHENETHYL)ACETAMIDE

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 31% strand (DSSP).

Ligands and binding sites

• U7A · N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide · ligand · chains A
• ZN · Zinc ion · metal · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
• GOL · Glycerol · 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

• 6WQ4 · Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-s… · 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 6WQ4 · PDBe 6WQ4 · UniProt P00918