› 5abw

X-ray diffraction
1.6Å resolution

Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases

Released:
DOI: 10.2210/pdb5abw/pdb
PDB entry 5abw coloured by chain, front view.
PDB entry 5abw coloured by chain, side view.
PDB entry 5abw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Neutrophil elastase inhibitors for the treatment of (cardio)pulmonary diseases: Into clinical testing with pre-adaptive pharmacophores.
von Nussbaum F, Li VM
Bioorg Med Chem Lett 25 4370-81 (2015)
PMID: 26358162

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins, including elastin. Preferential cleavage Val-|- > Ala-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

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: 23.32 KDa
Source organism: Homo sapiens
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
2 bound ligands:
Ligand WQQ 1 x WQQ
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PROTEUM
Spacegroup: P63
Unit cell:
a: 73.225Å b: 73.225Å c: 70.475Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.16 0.158 0.194

Quick links

Citations

12 review citations

Neutrophils and Granulocytic MDSC: The Janus God of Cancer Immunotherapy.
Zilio et al. (2016)
11 more

3 mentions without citation

Protein purification and crystallization artifacts: The tale usually not told.
Niedzialkowska et al. (2016)
2 more