Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH2)

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 30% strand (DSSP).

Ligands and binding sites

• E5Z · ~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl) ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide · ligand · chains A
• CU · Copper (II) ion · metal · 3 copies · chains A
• ZN · Zinc ion · metal · chains A
• GOL · Glycerol · additive · 2 copies · 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

• 6SKV · Crystal structure of bovine carbonic anhydrase II in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• P00921 · AlphaFold monomer V2.0 prediction for carbonic anhydrase 2 (P00921) · 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 P00921
• Elsewhere: RCSB PDB 6SKV · PDBe 6SKV · UniProt P00921