4bfz

X-ray diffraction
2.1Å resolution

Crystal structure of Mycobacterium tuberculosis PanK in complex with a biaryl inhibitory compound (2b) and phosphate

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantothenate kinase Chains: A, B
Molecule details ›
Chains: A, B
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

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P21212
Unit cell:
a: 88.46Å b: 148.28Å c: 63.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.205 0.248
Expression system: Escherichia coli BL21