› 1tyn

X-ray diffraction
2Å resolution

ATOMIC STRUCTURE OF THE TRYPSIN-CYCLOTHEONAMIDE A COMPLEX: LESSONS FOR THE DESIGN OF SERINE PROTEASE INHIBITORS

Released:
DOI: 10.2210/pdb1tyn/pdb
PDB entry 1tyn coloured by chain, front view.
PDB entry 1tyn coloured by chain, side view.
PDB entry 1tyn coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Atomic Structure of the Trypsin-Cyclotheonamide a Complex: Lessons for the Design of Serine Protease Inhibitors
Lee AY, Hagihara M, Karmacharya R, Albers MW, Schreiber SL, Clardy J
J. Am. Chem. Soc. 115 12619- (1993)

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: 223 amino acids
Theoretical weight: 23.32 KDa
Source organism: Bos taurus
Expression system: Not provided
UniProt:
  • Canonical: P00760 (Residues: 24-246; Coverage: 97%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

1 bound ligand:
Ligand CTA 1 x CTA
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P43212
Unit cell:
a: 71.73Å b: 71.73Å c: 88.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.169 0.222
Expression system: Not provided

Quick links

Citations

1 mention without citation

Chemistry and biology of multicomponent reactions.
Dömling et al. (2012)