Crystal structure of activated porcine pancreatic carboxypeptidase B 2-(3-aminomethyl-phenyl)-3-{[(R)-1- (BENZO[1,2,5]THIADIAZOLE-4-sulfonylamino)-2-methyl-propyl]- hydroxy-phosphinoyl}-propionic acid complex

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

Ligands and binding sites

• 281 · (2S)-2-[3-(aminomethyl)phenyl]-3-[(S)-{(1R)-1-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acid · 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: 3 disulfide (disulfide).

Compared structures

• 2PJ9 · CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B… · the same entry in another collection · chain A against A, TM-score 1.00
• P09955 · AlphaFold monomer V2.0 prediction for carboxypeptidase B (P09955) · 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 P09955
• Elsewhere: RCSB PDB 2PJ9 · PDBe 2PJ9 · UniProt P09955