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X-ray diffraction
1.85Å resolution

Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C

Released:
DOI: 10.2210/pdb3pdf/pdb
PDB entry 3pdf coloured by chain, front view.
PDB entry 3pdf coloured by chain, side view.
PDB entry 3pdf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of novel cyanamide-based inhibitors of cathepsin C.
Lainé D, Palovich M, McCleland B, Petitjean E, Delhom I, Xie H, Deng J, Lin G, Davis R, Jolit A, Nevins N, Zhao B, Villa J, Schneck J, McDevitt P, Midgett R, Kmett C, Umbrecht S, Peck B, Davis AB, Bettoun D
ACS Med Chem Lett 2 142-7 (2011)
PMID: 24900293

Function and Biology Details

Reaction catalysed: 
Release of an N-terminal dipeptide, Xaa-Yaa-|-Zaa-, except when Xaa is Arg or Lys, or Yaa or Zaa is Pro.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156844 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Dipeptidyl peptidase 1 Chain: A
Molecule details ›
Chain: A
Length: 441 amino acids
Theoretical weight: 49.86 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P53634 (Residues: 25-463; Coverage: 100%)
Gene names: CPPI, CTSC
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand LXV 1 x LXV
Ligand NAG 2 x NAG
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: I222
Unit cell:
a: 85.084Å b: 88.784Å c: 114.554Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.189 0.21
Expression system: Cricetulus griseus

Quick links

Citations

2 review citations

Lung Protection by Cathepsin C Inhibition: A New Hope for COVID-19 and ARDS?
Korkmaz et al. (2020)
1 more

8 mentions without citation

A novel missense variant in cathepsin C gene leads to PLS in a Chinese patient: A case report and literature review.
Yu et al. (2021)
7 more