Crystal structure of trypsin complexed with methyl 4-amino-1-methyl- pyrrolidine-2-carboxylate

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 35% strand (DSSP).

Ligands and binding sites

• SZ8 · methyl (4R)-4-amino-1-methyl-L-prolinate · ligand · chains A
• CA · Calcium ion · metal · chains A
• DMS · Dimethyl sulfoxide · additive · 3 copies · 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

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 3RXK · Crystal structure of Trypsin complexed with methyl… · the same entry in another collection · chain A against A, TM-score 1.00
• 1TNL · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNG · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNH · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNJ · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00
• 1TNI · Prediction of novel serine protease inhibitors · 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 P00760
• Elsewhere: RCSB PDB 3RXK · PDBe 3RXK · UniProt P00760