› 3h89

X-ray diffraction
2.5Å resolution

A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 4)

Released:
DOI: 10.2210/pdb3h89/pdb
PDB entry 3h89 coloured by chain, front view.
PDB entry 3h89 coloured by chain, side view.
PDB entry 3h89 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors.
Shenoy RT, Chowdhury SF, Kumar S, Joseph L, Purisima EO, Sivaraman J
J Med Chem 52 6335-46 (2009)
PMID: 19761244

Function and Biology Details

Reaction catalysed: 
Similar to that of papain. As compared to cathepsin B, cathepsin L exhibits higher activity toward protein substrates, but has little activity on Z-Arg-Arg-NHMec, and no peptidyl-dipeptidase activity.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139718 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cathepsin L Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 220 amino acids
Theoretical weight: 24.19 KDa
Source organism: Homo sapiens
Expression system: Saccharomyces cerevisiae
UniProt:
  • Canonical: P07711 (Residues: 114-333; Coverage: 70%)
Gene names: CTSL, CTSL1
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

1 bound ligand:
Ligand NSX 6 x NSX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12C
Spacegroup: C2
Unit cell:
a: 99.404Å b: 61.075Å c: 205.184Å
α: 90° β: 89.91° γ: 90°
R-values:
R R work R free
0.22 0.22 0.28
Expression system: Saccharomyces cerevisiae

Quick links

Citations

1 review citation

Cysteinyl cathepsins and mast cell proteases in the pathogenesis and therapeutics of cardiovascular diseases.
Qin et al. (2011)
4 other articles

3 mentions without citation

A Review of Small Molecule Inhibitors and Functional Probes of Human Cathepsin L.
Dana et al. (2020)
2 more