› 2h34

X-ray diffraction
2.8Å resolution

Apoenzyme crystal structure of the tuberculosis serine/threonine kinase, PknE

Released:
DOI: 10.2210/pdb2h34/pdb
PDB entry 2h34 coloured by chain, front view.
PDB entry 2h34 coloured by chain, side view.
PDB entry 2h34 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
A conserved dimer and global conformational changes in the structure of apo-PknE Ser/Thr protein kinase from Mycobacterium tuberculosis.
Gay LM, Ng HL, Alber T
J Mol Biol 360 409-20 (2006)
PMID: 16762364

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161602 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PknE Chains: A, B
Molecule details ›
Chains: A, B
Length: 309 amino acids
Theoretical weight: 34.06 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WI77 (Residues: 2-16, 18-289; Coverage: 51%)
Gene names: MTCY28.05, Rv1743, pknE
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand BR 1 x BR
Ligand NA 2 x NA
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P65
Unit cell:
a: 77.078Å b: 77.078Å c: 221.024Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.216 0.265
Expression system: Escherichia coli BL21(DE3)

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Citations

9 review citations

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

11 mentions without citation

Substrate and docking interactions in serine/threonine protein kinases.
Goldsmith et al. (2007)
10 more