› 2fye

X-ray diffraction
2.2Å resolution

Mutant Human Cathepsin S with irreversible inhibitor CRA-14013

Released:
DOI: 10.2210/pdb2fye/pdb
PDB entry 2fye coloured by chain, front view.
PDB entry 2fye coloured by chain, side view.
PDB entry 2fye coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Somoza JR

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 Chain: A
Molecule details ›
Chain: A
Length: 217 amino acids
Theoretical weight: 24.02 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P25774 (Residues: 115-331; Coverage: 69%)
Gene name: CTSS
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

1 bound ligand:
Ligand BCQ 1 x BCQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: I222
Unit cell:
a: 79.58Å b: 85.43Å c: 116.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.194 0.21
Expression system: Komagataella pastoris

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