› 1inc

X-ray diffraction
1.94Å resolution

CRYSTAL STRUCTURES OF THE COMPLEX OF PORCINE PANCREATIC ELASTASE WITH TWO VALINE-DERIVED BENZOXAZINONE INHIBITORS

Released:
DOI: 10.2210/pdb1inc/pdb
PDB entry 1inc coloured by chain, front view.
PDB entry 1inc coloured by chain, side view.
PDB entry 1inc coloured by chain, top view.
Source organism: Sus scrofa domesticus
Primary publication:
Crystal structures of the complex of porcine pancreatic elastase with two valine-derived benzoxazinone inhibitors.
Radhakrishnan R, Presta LG, Meyer EF, Wildonger R
J Mol Biol 198 417-24 (1987)
PMID: 3430613

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins, including elastin. Preferential cleavage: Ala-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133451 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chymotrypsin-like elastase family member 1 Chain: A
Molecule details ›
Chain: A
Length: 240 amino acids
Theoretical weight: 25.93 KDa
Source organism: Sus scrofa domesticus
Expression system: Not provided
UniProt:
  • Canonical: P00772 (Residues: 27-266; Coverage: 96%)
Gene names: CELA1, ELA1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

3 bound ligands:
Ligand SO4 1 x SO4
Ligand CA 1 x CA
Ligand ICL 1 x ICL
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 52.1Å b: 58Å c: 75.1Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.172 not available
Expression system: Not provided

Quick links

Citations

3 review citations

Internal water molecules and H-bonding in biological macromolecules: a review of structural features with functional implications.
Meyer E. (1992)
2 more

4 mentions without citation

LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation.
Huang et al. (2006)
3 more