› 1ela

X-ray diffraction
2Å resolution

Analogous inhibitors of elastase do not always bind analogously

Released:
DOI: 10.2210/pdb1ela/pdb
PDB entry 1ela coloured by chain, front view.
PDB entry 1ela coloured by chain, side view.
PDB entry 1ela coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Analogous inhibitors of elastase do not always bind analogously.
Mattos C, Rasmussen B, Ding X, Petsko GA, Ringe D
Nat Struct Biol 1 55-8 (1994)
PMID: 7656008

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
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

4 bound ligands:
Ligand 0Z1 1 x 0Z1
Ligand CA 1 x CA
Ligand SO4 1 x SO4
Ligand ACY 1 x ACY
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 52.37Å b: 57.71Å c: 75.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.185 not available
Expression system: Not provided

Quick links

Citations

9 review citations

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs.
Böhm HJ. (1998)
8 more

10 mentions without citation

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