GL1X · GenesisL1 explorer

MolNFT v1 · #171273 · protein

Trypsin inhibitor in complex with bovine trypsin

6YZC · Cationic trypsin: “Trypsin inhibitor in complex with bovine trypsin”. X-ray diffraction, 2 ligands (AMH, CA), 1 pocket (best druggability 0.34). MolNFT v1 #171273 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6YZC
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cationic trypsin
EC
3.4.21.4
UniProt
P00760
Ligands
AMH, CA
Pockets
1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACationic trypsin (EC 3.4.21.4)protein22310% helix, 35% strandP00760

Ligands and binding sites

  • AMH · Trans-4-aminomethylcyclohexane-1-carboxylic acid · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 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
1540.340.7919AMH

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 6YZC · Trypsin inhibitor in complex with bovine trypsin · the same entry in another collection · 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
  • 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
  • 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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