› 5qbv

X-ray diffraction
1.8Å resolution

Crystal structure of human Cathepsin-S with bound ligand

Released:
DOI: 10.2210/pdb5qbv/pdb
PDB entry 5qbv coloured by chain, front view.
PDB entry 5qbv coloured by chain, side view.
PDB entry 5qbv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors.
Ameriks MK, Bembenek SD, Burdett MT, Choong IC, Edwards JP, Gebauer D, Gu Y, Karlsson L, Purkey HE, Staker BL, Sun S, Thurmond RL, Zhu J
Bioorg Med Chem Lett 20 4060-4 (2010)
PMID: 20541404

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-150575 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cathepsin S Chains: A, B
Molecule details ›
Chains: A, B
Length: 223 amino acids
Theoretical weight: 24.52 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P25774 (Residues: 114-331; Coverage: 69%)
Gene name: CTSS
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

1 bound ligand:
Ligand N2D 2 x N2D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: C2
Unit cell:
a: 172.391Å b: 34.311Å c: 104.021Å
α: 90° β: 125.27° γ: 90°
R-values:
R R work R free
0.148 0.147 0.172
Expression system: Spodoptera frugiperda

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Citations

1 review citation

Cathepsin S inhibitors: 2004-2010.
Lee-Dutra et al. (2011)
10 other articles