Carbonic anhydrase II complexed with 3-((2-((furan-2-YLMETHYL)(4- SULFAMOYLPHENETHYL)AMINO)-2-OXOETHYL)(PHENETHYL)AMINO)PROPANOIC acid

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 30% strand (DSSP).

Ligands and binding sites

• U77 · N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl) ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine · ligand · 2 copies · 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

• 6WQ8 · Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)… · 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 6WQ8 · PDBe 6WQ8 · UniProt P00918