› 4bfs

X-ray diffraction
2.9Å resolution

Crystal structure of Mycobacterium tuberculosis PanK in complex with a triazole inhibitory compound (1a)

Released:
DOI: 10.2210/pdb4bfs/pdb
Model geometry
Fit model/data
PDB entry 4bfs coloured by chain, front view.
PDB entry 4bfs coloured by chain, side view.
PDB entry 4bfs coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Structural and biochemical characterization of compounds inhibiting Mycobacterium tuberculosis pantothenate kinase.
Björkelid C, Bergfors T, Raichurkar AK, Mukherjee K, Malolanarasimhan K, Bandodkar B, Jones TA
J Biol Chem 288 18260-70 (2013)
PMID: 23661699

Function and Biology Details

Reaction catalysed: 
ATP + (R)-pantothenate = ADP + (R)-4'-phosphopantothenate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161936 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantothenate kinase Chain: A
Molecule details ›
Chain: A
Length: 318 amino acids
Theoretical weight: 36.53 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P9WPA7 (Residues: 1-312; Coverage: 100%)
Gene names: MTV017.45c, Rv1092c, coaA
Sequence domains: Phosphoribulokinase / Uridine kinase family
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

1 bound ligand:
Ligand ZVS 1 x ZVS
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: MAX II BEAMLINE I911-2
Spacegroup: P3121
Unit cell:
a: 105.28Å b: 105.28Å c: 90.8Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.197 0.245
Expression system: Escherichia coli BL21

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Citations

4 review citations

The application of tetracyclineregulated gene expression systems in the validation of novel drug targets in Mycobacterium tuberculosis.
Evans et al. (2015)
3 more

2 mentions without citation

Vitamin in the Crosshairs: Targeting Pantothenate and Coenzyme A Biosynthesis for New Antituberculosis Agents.
Butman et al. (2020)
1 more