› 2rg3

X-ray diffraction
1.8Å resolution

Covalent complex structure of elastase

Released:
DOI: 10.2210/pdb2rg3/pdb
PDB entry 2rg3 coloured by chain, front view.
PDB entry 2rg3 coloured by chain, side view.
PDB entry 2rg3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray snapshot of the mechanism of inactivation of human neutrophil elastase by 1,2,5-thiadiazolidin-3-one 1,1-dioxide derivatives.
Huang W, Yamamoto Y, Li Y, Dou D, Alliston KR, Hanzlik RP, Williams TD, Groutas WC
J Med Chem 51 2003-8 (2008)
PMID: 18318470

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins, including elastin. Preferential cleavage Val-|- > 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-140063 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Neutrophil elastase Chain: A
Molecule details ›
Chain: A
Length: 218 amino acids
Theoretical weight: 23.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P08246 (Residues: 30-247; Coverage: 91%)
Gene names: ELA2, ELANE
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
1 bound ligand:
Ligand EPE 1 x EPE
1 modified residue:
Ligand BG1 1 x BG1

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P63
Unit cell:
a: 73.2Å b: 73.2Å c: 70.1Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.2 not available
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Structures of human proteinase 3 and neutrophil elastase--so similar yet so different.
Hajjar et al. (2010)
2 more

1 mention without citation

X-ray snapshot of the mechanism of inactivation of human neutrophil elastase by 1,2,5-thiadiazolidin-3-one 1,1-dioxide derivatives.
Huang et al. (2008)