› 4mzs

X-ray diffraction
1.85Å resolution

Mouse cathepsin s with covalent ligand (3S,4S)-1-[(2-CHLOROPHENYL)SULFONYL]-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)PYRROLIDINE-3-CARBOXAMIDE

Released:
DOI: 10.2210/pdb4mzs/pdb
PDB entry 4mzs coloured by chain, front view.
PDB entry 4mzs coloured by chain, side view.
PDB entry 4mzs coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
Hilpert H, Mauser H, Humm R, Anselm L, Kuehne H, Hartmann G, Gruener S, Banner DW, Benz J, Gsell B, Kuglstatter A, Stihle M, Thoma R, Sanchez RA, Iding H, Wirz B, Haap W
J Med Chem 56 9789-801 (2013)
PMID: 24224654

Function and Biology Details

Reaction catalysed: 
Similar to cathepsin L, but with much less activity on Z-Phe-Arg-|-NHMec, and more activity on the Z-Val-Val-Arg-|- compound.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130700 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cathepsin S Chains: A, B
Molecule details ›
Chains: A, B
Length: 225 amino acids
Theoretical weight: 24.66 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: O70370 (Residues: 116-340; Coverage: 70%)
Gene names: Cats, Ctss
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

1 bound ligand:
Ligand 2EV 2 x 2EV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 36.542Å b: 88.959Å c: 120.941Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.224 0.27
Expression system: Escherichia coli

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Citations

5 review citations

Manipulating autophagic processes in autoimmune diseases: a special focus on modulating chaperone-mediated autophagy, an emerging therapeutic target.
Wang et al. (2015)
4 more