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Porcine trypsin complexed with 4-amino propanol

Analyse Porcine trypsin complexed with 4-amino propanol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1S83
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsin
EC
3.4.21.4
UniProt
P00761
Ligands
4HA, MG, CA, SO4
Pockets
1 · best druggability 0.29

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrypsin (EC 3.4.21.4)protein22310% helix, 35% strandP00761

Ligands and binding sites

  • 4HA · 4-hydroxybutan-1-aminium · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 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
1550.290.7517empty

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1S83 · Porcine trypsin complexed with 4-amino propanol · the same entry in another collection · chain A against A, TM-score 1.00
  • P00761 · AlphaFold monomer V2.0 prediction for trypsin (P00761) · a predicted model of the same protein · chain A against A, TM-score 0.99

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