› 1t31

X-ray diffraction
1.9Å resolution

A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation

Released:
DOI: 10.2210/pdb1t31/pdb
PDB entry 1t31 coloured by chain, front view.
PDB entry 1t31 coloured by chain, side view.
PDB entry 1t31 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
de Garavilla L, Greco MN, Sukumar N, Chen ZW, Pineda AO, Mathews FS, Di Cera E, Giardino EC, Wells GI, Haertlein BJ, Kauffman JA, Corcoran TW, Derian CK, Eckardt AJ, Damiano BP, Andrade-Gordon P, Maryanoff BE
J Biol Chem 280 18001-7 (2005)
PMID: 15741158

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Phe-|- > Tyr-|- > Trp-|- > Leu-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-150125 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Chymase Chain: A
Molecule details ›
Chain: A
Length: 226 amino acids
Theoretical weight: 24.99 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P23946 (Residues: 22-247; Coverage: 99%)
Gene names: CMA1, CYH, CYM
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
5 bound ligands:
Ligand NAG 1 x NAG
Ligand SO4 7 x SO4
Ligand CO 1 x CO
Ligand OHH 1 x OHH
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 14-BM-C
Spacegroup: P21212
Unit cell:
a: 46.417Å b: 131.733Å c: 49.219Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.198 0.234
Expression system: Spodoptera frugiperda

Quick links

Citations

16 review citations

Neutrophils and immunity: challenges and opportunities.
Nathan C. (2006)
15 more

7 mentions without citation

A system-level investigation into the mechanisms of Chinese Traditional Medicine: Compound Danshen Formula for cardiovascular disease treatment.
Li et al. (2012)
6 more