› 3avo

X-ray diffraction
2.55Å resolution

Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenate

Released:
DOI: 10.2210/pdb3avo/pdb
PDB entry 3avo coloured by chain, front view.
PDB entry 3avo coloured by chain, side view.
PDB entry 3avo coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action.
Chetnani B, Kumar P, Abhinav KV, Chhibber M, Surolia A, Vijayan M
Acta Crystallogr D Biol Crystallogr 67 774-83 (2011)
PMID: 21904030

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: 322 amino acids
Theoretical weight: 36.9 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
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

3 bound ligands:
Ligand FLC 1 x FLC
Ligand PAU 1 x PAU
Ligand GOL 9 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P3121
Unit cell:
a: 103.39Å b: 103.39Å c: 91Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.22 0.22 0.249
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Recent advancements in the development of anti-tuberculosis drugs.
Chetty et al. (2017)
1 more

3 mentions without citation

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