› 1tnl

X-ray diffraction
1.9Å resolution

PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS

Released:
DOI: 10.2210/pdb1tnl/pdb
PDB entry 1tnl coloured by chain, front view.
PDB entry 1tnl coloured by chain, side view.
PDB entry 1tnl coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Prediction of new serine proteinase inhibitors.
Kurinov IV, Harrison RW
Nat Struct Biol 1 735-43 (1994)
PMID: 7634078

Function and Biology Details

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

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 Chain: A
Molecule details ›
Chain: A
Length: 229 amino acids
Theoretical weight: 24.01 KDa
Source organism: Bos taurus
Expression system: Not provided
UniProt:
  • Canonical: P00760 (Residues: 18-246; Coverage: 100%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand TPA 1 x TPA
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 54.915Å b: 58.501Å c: 67.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.164 not available
Expression system: Not provided

Quick links

Citations

2 review citations

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs.
Böhm HJ. (1998)
1 more

12 mentions without citation

Assessment of programs for ligand binding affinity prediction.
Kim et al. (2008)
11 more