Carbonic anhydrase II H64C mutant in complex with an in situ formed triazole

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 31% strand (DSSP).

Ligands and binding sites

• BE7 · (4-carboxyphenyl)(chloro)mercury · ligand · chains A
• DAW · N-[(S)-(1-{2-oxo-2-[(3-sulfanylpropyl)amino]ethyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide · ligand · chains A
• ZN · Zinc ion · metal · 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.

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 3KNE · Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole · 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 3KNE · PDBe 3KNE · UniProt P00918