› 5tho

X-ray diffraction
3Å resolution

Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205

Released:
DOI: 10.2210/pdb5tho/pdb
PDB entry 5tho coloured by chain, front view.
PDB entry 5tho coloured by chain, side view.
PDB entry 5tho coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Ra
Primary publication:
Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Hsu HC, Singh PK, Fan H, Wang R, Sukenick G, Nathan C, Lin G, Li H
Biochemistry 56 324-333 (2017)
PMID: 27976853

Function and Biology Details

Reaction catalysed: 
Cleavage of peptide bonds with very broad specificity.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero 28-mer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107736 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Proteasome subunit alpha Chains: A, B, C, D, E, F, G, O, P, Q, R, S, T, U
Molecule details ›
Chains: A, B, C, D, E, F, G, O, P, Q, R, S, T, U
Length: 240 amino acids
Theoretical weight: 25.97 KDa
Source organism: Mycobacterium tuberculosis H37Ra
Expression system: Escherichia coli
UniProt:
  • Canonical: A5U4D5 (Residues: 10-248; Coverage: 96%)
Gene names: MRA_2124, prcA
Sequence domains: Proteasome subunit
Structure domains: Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1
Proteasome subunit beta Chains: H, I, J, K, L, M, N, V, W, X, Y, Z, a, b
Molecule details ›
Chains: H, I, J, K, L, M, N, V, W, X, Y, Z, a, b
Length: 240 amino acids
Theoretical weight: 25.27 KDa
Source organism: Mycobacterium tuberculosis H37Ra
Expression system: Escherichia coli
UniProt:
  • Canonical: A5U4D6 (Residues: 58-291; Coverage: 80%)
Gene names: MRA_2125, prcB
Sequence domains: Proteasome subunit
Structure domains: Glutamine Phosphoribosylpyrophosphate, subunit 1, domain 1

Ligands and Environments

1 bound ligand:
Ligand 7C7 14 x 7C7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P21
Unit cell:
a: 120.163Å b: 198.189Å c: 166.237Å
α: 90° β: 103.35° γ: 90°
R-values:
R R work R free
0.178 0.176 0.21
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Targeting the Proteostasis Network for Mycobacterial Drug Discovery.
Lupoli et al. (2018)
3 more

2 mentions without citation

Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Hsu et al. (2017)
1 more