› 8ahv

X-ray diffraction
1.7Å resolution

Crystal structure of human cathepsin L in complex with calpain inhibitor XII

Released:
DOI: 10.2210/pdb8ahv/pdb
Model geometry
Fit model/data
PDB entry 8ahv coloured by chain, front view.
PDB entry 8ahv coloured by chain, side view.
PDB entry 8ahv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
Falke S, Lieske J, Herrmann A, Loboda J, Karničar K, Günther S, Reinke PYA, Ewert W, Usenik A, Lindič N, Sekirnik A, Dretnik K, Tsuge H, Turk V, Chapman HN, Hinrichs W, Ebert G, Turk D, Meents A
OpenAccess logo J Med Chem 67 7048-7067 (2024)
PMID: 38630165

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

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
Molecule details ›
Chains: A, B, C, D
Length: 220 amino acids
Theoretical weight: 24.16 KDa
Source organism: Homo sapiens
Expression system: Komagataella phaffii GS115
UniProt:
  • Canonical: P07711 (Residues: 114-333; Coverage: 70%)
Gene names: CTSL, CTSL1
Sequence domains: Papain family cysteine protease

Ligands and Environments

5 bound ligands:
Ligand PGE 2 x PGE
Ligand M6L 4 x M6L
Ligand DMS 4 x DMS
Ligand EDO 4 x EDO
Ligand PEG 5 x PEG
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: P1
Unit cell:
a: 57.06Å b: 62.64Å c: 67.34Å
α: 105.416° β: 93.706° γ: 115.362°
R-values:
R R work R free
0.169 0.168 0.207
Expression system: Komagataella phaffii GS115

Quick links

Citations

1 mention without citation

Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
Falke et al. (2024)

PDB-REDO

The sliders below show the change in model quality between original PDB entry and the PDB-REDO entry

Model Geometry
 
 
Data not available
DNA/RNA Geometry
 
 
Data not available
Fit model/data
 
 
Data not available
PDB-REDO