› 2fum

X-ray diffraction
2.89Å resolution

Catalytic domain of protein kinase PknB from Mycobacterium tuberculosis in complex with mitoxantrone

Released:
DOI: 10.2210/pdb2fum/pdb
PDB entry 2fum coloured by chain, front view.
PDB entry 2fum coloured by chain, side view.
PDB entry 2fum coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
The structure of PknB in complex with mitoxantrone, an ATP-competitive inhibitor, suggests a mode of protein kinase regulation in mycobacteria.
Wehenkel A, Fernandez P, Bellinzoni M, Catherinot V, Barilone N, Labesse G, Jackson M, Alzari PM
FEBS Lett 580 3018-22 (2006)
PMID: 16674948

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161604 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PknB Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 299 amino acids
Theoretical weight: 32.46 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WI81 (Residues: 1-279; Coverage: 45%)
Gene names: MTCY10H4.14c, Rv0014c, pknB
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MIX 4 x MIX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P43212
Unit cell:
a: 116.863Å b: 116.863Å c: 260.347Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.218 0.278
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

Antituberculosis drugs: ten years of research.
Janin YL. (2007)
8 more

18 mentions without citation

Mycobacterium tuberculosis Serine/Threonine Protein Kinases.
Prisic et al. (2014)
17 more