› 1zzz

X-ray diffraction
1.9Å resolution

Trypsin inhibitors with rigid tripeptidyl aldehydes

Released:
DOI: 10.2210/pdb1zzz/pdb
PDB entry 1zzz coloured by chain, front view.
PDB entry 1zzz coloured by chain, side view.
PDB entry 1zzz 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:
  • not assigned
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: 237 amino acids
Theoretical weight: 24.74 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00760 (Residues: 10-246; Coverage: 100%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 63.67Å b: 63.2Å c: 69.22Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.157 0.157 not available

Quick links

Citations

25 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)
24 more

3 mentions without citation

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