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Crystal structure of benzamidine inhibited bovine pancreatic trypsin at 105K to 1.21A resolution from laboratory source with high number of waters modelled

Analyse Crystal structure of benzamidine inhibited bovine pancreatic trypsin at 105K to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1J8A
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsinogen, cationic
EC
3.4.21.4
UniProt
P00760
Ligands
BEN, CA, SO4

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrypsinogen, cationic (EC 3.4.21.4)protein22310% helix, 36% strandP00760

Ligands and binding sites

  • BEN · Benzamidine · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1J8A · Crystal structure of benzamidine inhibited bovine pancreatic trypsin at 105K to 1.21A… · the same entry in another collection · chain A against A, TM-score 1.00

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