› 3hhi

X-ray diffraction
1.6Å resolution

Crystal Structure of Cathepsin B from T. brucei in complex with CA074

Released:
DOI: 10.2210/pdb3hhi/pdb
PDB entry 3hhi coloured by chain, front view.
PDB entry 3hhi coloured by chain, side view.
PDB entry 3hhi coloured by chain, top view.
Source organism: Trypanosoma brucei
Primary publication:
Crystal Structures of TbCatB and rhodesain, potential chemotherapeutic targets and major cysteine proteases of Trypanosoma brucei.
Kerr ID, Wu P, Marion-Tsukamaki R, Mackey ZB, Brinen LS
PLoS Negl Trop Dis 4 e701 (2010)
PMID: 20544024

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180290 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase C1A papain C-terminal domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 325 amino acids
Theoretical weight: 35.92 KDa
Source organism: Trypanosoma brucei
Expression system: Komagataella pastoris
UniProt:
  • Canonical: Q6R7Z5 (Residues: 23-340; Coverage: 100%)
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases

Ligands and Environments

5 bound ligands:
Ligand 074 2 x 074
Ligand TRS 1 x TRS
Ligand GOL 6 x GOL
Ligand MG 1 x MG
Ligand LI 1 x LI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P21
Unit cell:
a: 53.881Å b: 75.134Å c: 75.9Å
α: 90° β: 105.02° γ: 90°
R-values:
R R work R free
0.148 0.147 0.178
Expression system: Komagataella pastoris

Quick links

Citations

6 review citations

Molecular recognition in chemical and biological systems.
Persch et al. (2015)
5 more

6 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
5 more