› 2foh

X-ray diffraction
1.8Å resolution

Structure of porcine pancreatic elastase in 40% trifluoroethanol

Released:
DOI: 10.2210/pdb2foh/pdb
PDB entry 2foh coloured by chain, front view.
PDB entry 2foh coloured by chain, side view.
PDB entry 2foh coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Multiple solvent crystal structures: probing binding sites, plasticity and hydration.
Mattos C, Bellamacina CR, Peisach E, Pereira A, Vitkup D, Petsko GA, Ringe D
J Mol Biol 357 1471-82 (2006)
PMID: 16488429

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
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 CA 1 x CA
Ligand SO4 1 x SO4
Ligand ETF 2 x ETF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 51.88Å b: 57.84Å c: 75.24Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.167 0.193

Quick links

Citations

13 review citations

Emerging principles in protease-based drug discovery.
Drag et al. (2010)
12 more

2 mentions without citation

Driving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics.
Ghanakota et al. (2016)
1 more