› 4est

X-ray diffraction
1.78Å resolution

CRYSTAL STRUCTURE OF THE COVALENT COMPLEX FORMED BY A PEPTIDYL ALPHA,ALPHA-DIFLUORO-BETA-KETO AMIDE WITH PORCINE PANCREATIC ELASTASE AT 1.78-ANGSTROMS RESOLUTION

Released:
DOI: 10.2210/pdb4est/pdb
PDB entry 4est coloured by chain, front view.
PDB entry 4est coloured by chain, side view.
PDB entry 4est coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Crystal Structure of the Covalent Complex Formed by a Peptidyl Alpha,Alpha-Difluoro-Beta-Keto Amide with Porcine Pancreatic Elastase at 1.78-Angstroms Resolution
Takahashi LH, Radhakrishnan R, Rosenfieldjunior RE, Meyerjunior EF, Trainor DA
J. Am. Chem. Soc. 111 3368- (1989)

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133475 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
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
INHIBITOR ACE-ALA-PRO-VAI-DIFLUORO-N-PHENYLETHYLACETAMIDE Chain: I
Molecule details ›
Chain: I
Length: 6 amino acids
Theoretical weight: 574 Da
Source organism: Sus scrofa
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 1 x SO4
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 51.24Å b: 58.17Å c: 75.54Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.16 0.16 not available
Expression system: Not provided

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