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The geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and its complexes with inhibitors

Analyse The geometry of the reactive site and of the peptide groups in trypsin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TPO
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-trypsin
EC
3.4.21.4
UniProt
P00760
Ligands
CA
Pockets
1 · best druggability 0.35

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-trypsin (EC 3.4.21.4)protein22311% helix, 35% strandP00760

Ligands and binding sites

  • CA · Calcium 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.350.8015empty

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1TPO · The geometry of the reactive site and of the peptide groups in trypsin, trypsinogen and… · the same entry in another collection · 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
  • 1TNI · 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
  • 1TNL · 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
  • 1TNK · Prediction of novel serine protease inhibitors · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

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