› 8he9

X-ray diffraction
1.55Å resolution

Crystal structure of CTSB in complex with K777

Released:
DOI: 10.2210/pdb8he9/pdb
PDB entry 8he9 coloured by chain, front view.
PDB entry 8he9 coloured by chain, side view.
PDB entry 8he9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Wang H, Yang Q, Liu X, Xu Z, Shao M, Li D, Duan Y, Tang J, Yu X, Zhang Y, Hao A, Wang Y, Chen J, Zhu C, Guddat L, Chen H, Zhang L, Chen X, Jiang B, Sun L, Rao Z, Yang H
OpenAccess logo Nat Commun 14 7574 (2023)
PMID: 37990007

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins with broad specificity for peptide bonds. Preferentially cleaves -Arg-Arg-|- bonds in small molecule substrates (thus differing from cathepsin L). In addition to being an endopeptidase, shows peptidyl-dipeptidase activity, liberating C-terminal dipeptides.
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139795 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cathepsin B Chain: A
Molecule details ›
Chain: A
Length: 255 amino acids
Theoretical weight: 27.97 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P07858 (Residues: 79-333; Coverage: 79%)
Gene names: CPSB, CTSB
Sequence domains: Papain family cysteine protease

Ligands and Environments

3 bound ligands:
Ligand 0IW 1 x 0IW
Ligand GOL 2 x GOL
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 31.432Å b: 70.497Å c: 93.739Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.179 0.202
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Identification of receptors and factors associated with human coronaviruses in the oral cavity using single-cell RNA sequencing.
Gao et al. (2024)
1 more