› 2xu3

X-ray diffraction
0.9Å resolution

CATHEPSIN L WITH A NITRILE INHIBITOR

Released:
DOI: 10.2210/pdb2xu3/pdb
PDB entry 2xu3 coloured by chain, front view.
PDB entry 2xu3 coloured by chain, side view.
PDB entry 2xu3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Systematic investigation of halogen bonding in protein-ligand interactions.
Hardegger LA, Kuhn B, Spinnler B, Anselm L, Ecabert R, Stihle M, Gsell B, Thoma R, Diez J, Benz J, Plancher JM, Hartmann G, Banner DW, Haap W, Diederich F
Angew Chem Int Ed Engl 50 314-8 (2011)
PMID: 21184410

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 Chain: A
Molecule details ›
Chain: A
Length: 220 amino acids
Theoretical weight: 24.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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

3 bound ligands:
Ligand XU3 1 x XU3
Ligand BTB 2 x BTB
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P21
Unit cell:
a: 44.441Å b: 49.394Å c: 46.129Å
α: 90° β: 105.13° γ: 90°
R-values:
R R work R free
0.142 0.142 0.155
Expression system: Escherichia coli

Quick links

Citations

12 review citations

The Halogen Bond.
Cavallo et al. (2016)
11 more

21 mentions without citation

COVID-19: Drug Targets and Potential Treatments.
Gil et al. (2020)
20 more