› 1yyy

X-ray diffraction
2.1Å resolution

Trypsin inhibitors with rigid tripeptidyl aldehydes

Released:
DOI: 10.2210/pdb1yyy/pdb
PDB entry 1yyy coloured by chain, front view.
PDB entry 1yyy coloured by chain, side view.
PDB entry 1yyy coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Krishnan R, Zhang E, Hakansson K, Arni RK, Tulinsky A, Lim-Wilby MS, Levy OE, Semple JE, Brunck TK
Biochemistry 37 12094-103 (1998)
PMID: 9724521

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: 1
Molecule details ›
Chain: 1
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
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand 0KV 1 x 0KV
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 63.76Å b: 63.14Å c: 69.29Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.157 0.157 not available

Quick links

Citations

26 citation in other articles

Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring function.
Reulecke et al. (2008)
25 more

3 mentions without citation

A supramodular FHA/BRCT-repeat architecture mediates Nbs1 adaptor function in response to DNA damage.
Lloyd et al. (2009)
2 more