› 6f5m

X-ray diffraction
2.7Å resolution

Crystal structure of highly glycosylated human leukocyte elastase in complex with a thiazolidinedione inhibitor

Released:
DOI: 10.2210/pdb6f5m/pdb
PDB entry 6f5m coloured by chain, front view.
PDB entry 6f5m coloured by chain, side view.
PDB entry 6f5m coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of highly glycosylated human leukocyte elastase in complex with an S2' site binding inhibitor.
Hochscherf J, Pietsch M, Tieu W, Kuan K, Abell AD, Gütschow M, Niefind K
Acta Crystallogr F Struct Biol Commun 74 480-489 (2018)
PMID: 30084397

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 (4 distinct):
Neutrophil elastase Chains: A, B
Molecule details ›
Chains: A, B
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, BMA, MAN, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN, FUC
Carbohydrate polymer
3 bound ligands:
Ligand SO4 4 x SO4
Ligand ACT 3 x ACT
Ligand CQH 2 x CQH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: R32
Unit cell:
a: 204.557Å b: 204.557Å c: 62.155Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.18 0.176 0.234

Quick links

Citations

1 review citation

Surface loops of trypsin-like serine proteases as determinants of function.
Goettig et al. (2019)
2 other articles

3 mentions without citation

Herbal Arsenal against Skin Ailments: A Review Supported by In Silico Molecular Docking Studies.
Singab et al. (2022)
2 more