› 7jwx

X-ray diffraction
2.38Å resolution

Crystal Structure of Trypsin Bound O-methyl Benzamidine

Released:
DOI: 10.2210/pdb7jwx/pdb
PDB entry 7jwx coloured by chain, front view.
PDB entry 7jwx coloured by chain, side view.
PDB entry 7jwx coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Small molecule peptidomimetic trypsin inhibitors: validation of an EKO binding mode, but with a twist.
Lyu RL, Joy S, Packianathan C, Laganowsky A, Burgess K
Org Biomol Chem 20 2075-2080 (2022)
PMID: 35225309

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Arg-|-, Lys-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133319 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine protease 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 223 amino acids
Theoretical weight: 23.32 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00760 (Residues: 24-246; Coverage: 97%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin

Ligands and Environments

5 bound ligands:
Ligand VN1 4 x VN1
Ligand CA 4 x CA
Ligand SO4 4 x SO4
Ligand CL 2 x CL
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU R-AXIS IV
Spacegroup: C2
Unit cell:
a: 189.27Å b: 70.32Å c: 137.74Å
α: 90° β: 133° γ: 90°
R-values:
R R work R free
0.214 0.212 0.255

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Citations

1 mention without citation

Small molecule peptidomimetic trypsin inhibitors: validation of an EKO binding mode, but with a twist.
Lyu et al. (2022)