› 1qb1

X-ray diffraction
1.8Å resolution

Bovine Trypsin with 1-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]piperidine-3-carboxylic Acid (ZK-806974)

Released:
DOI: 10.2210/pdb1qb1/pdb
PDB entry 1qb1 coloured by chain, front view.
PDB entry 1qb1 coloured by chain, side view.
PDB entry 1qb1 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Whitlow M, Arnaiz DO, Buckman BO, Davey DD, Griedel B, Guilford WJ, Koovakkat SK, Liang A, Mohan R, Phillips GB, Seto M, Shaw KJ, Xu W, Zhao Z, Light DR, Morrissey MM
Acta Crystallogr D Biol Crystallogr 55 1395-404 (1999)
PMID: 10417407

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
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 974 1 x 974
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SIEMENS
Spacegroup: P212121
Unit cell:
a: 63.16Å b: 63.78Å c: 69.35Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.183 0.237

Quick links

Citations

13 citation in other articles

Trypsin specificity as elucidated by LIE calculations, X-ray structures, and association constant measurements.
Leiros et al. (2004)
12 more

3 mentions without citation

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