› 8est

X-ray diffraction
1.78Å resolution

REACTION OF PORCINE PANCREATIC ELASTASE WITH 7-SUBSTITUTED 3-ALKOXY-4-CHLOROISOCOUMARINS: DESIGN OF POTENT INHIBITORS USING THE CRYSTAL STRUCTURE OF THE COMPLEX FORMED WITH 4-CHLORO-3-ETHOXY-7-GUANIDINO-ISOCOUMARIN

Released:
DOI: 10.2210/pdb8est/pdb
PDB entry 8est coloured by chain, front view.
PDB entry 8est coloured by chain, side view.
PDB entry 8est coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Reaction of porcine pancreatic elastase with 7-substituted 3-alkoxy-4-chloroisocoumarins: design of potent inhibitors using the crystal structure of the complex formed with 4-chloro-3-ethoxy-7-guanidinoisocoumarin.
Powers JC, Oleksyszyn J, Narasimhan SL, Kam CM
Biochemistry 29 3108-18 (1990)
PMID: 2337582

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: E
Molecule details ›
Chain: E
Length: 240 amino acids
Theoretical weight: 25.93 KDa
Source organism: Sus scrofa
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 GIS 1 x GIS
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 50.62Å b: 58.26Å c: 75.24Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.17 not available
Expression system: Not provided

Quick links

Citations

2 review citations

Protein targets for structure-based drug design.
Walkinshaw MD. (1992)
1 more

2 mentions without citation

RME-8, a conserved J-domain protein, is required for endocytosis in Caenorhabditis elegans.
Zhang et al. (2001)
1 more