PDBe 4abg

X-ray diffraction
1.52Å resolution

Fragments bound to bovine trypsin for the SAMPL challenge

Released:
Source organism: Bos taurus
Primary publication:
The DINGO dataset: a comprehensive set of data for the SAMPL challenge.
OpenAccess logo J. Comput. Aided Mol. Des. 26 497-503 (2012)
PMID: 22187139

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cationic trypsin 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%)
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments


No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P3121
Unit cell:
a: 54.303Å b: 54.303Å c: 106.387Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.167 0.165 0.204