› 5tp0

X-ray diffraction
1.25Å resolution

Human mesotrypsin in complex with diminazene

Released:
DOI: 10.2210/pdb5tp0/pdb
PDB entry 5tp0 coloured by chain, front view.
PDB entry 5tp0 coloured by chain, side view.
PDB entry 5tp0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Small molecule inhibitors of mesotrypsin from a structure-based docking screen.
Kayode O, Huang Z, Soares AS, Caulfield TR, Dong Z, Bode AM, Radisky ES
PLoS One 12 e0176694 (2017)
PMID: 28463992

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Arg-|-, Lys-|-.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152772 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Trypsin-3 Chain: A
Molecule details ›
Chain: A
Length: 224 amino acids
Theoretical weight: 24.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P35030 (Residues: 81-304; Coverage: 74%)
Gene names: PRSS3, PRSS4, TRY3, TRY4
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

3 bound ligands:
Ligand CA 1 x CA
Ligand SO4 4 x SO4
Ligand BRN 1 x BRN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P212121
Unit cell:
a: 40.916Å b: 64.443Å c: 80.675Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.119 0.118 0.137
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Proteases: Pivot Points in Functional Proteomics.
Verhamme et al. (2019)
1 more

1 mention without citation

Small molecule inhibitors of mesotrypsin from a structure-based docking screen.
Kayode et al. (2017)