› 2a84

X-ray diffraction
1.55Å resolution

Crystal structure of A Pantothenate synthetase complexed with ATP

Released:
DOI: 10.2210/pdb2a84/pdb
PDB entry 2a84 coloured by chain, front view.
PDB entry 2a84 coloured by chain, side view.
PDB entry 2a84 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystal structure of the pantothenate synthetase from Mycobacterium tuberculosis, snapshots of the enzyme in action.
Wang S, Eisenberg D
Biochemistry 45 1554-61 (2006)
PMID: 16460002

Function and Biology Details

Reaction catalysed: 
ATP + (R)-pantoate + beta-alanine = AMP + diphosphate + (R)-pantothenate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161641 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pantothenate synthetase Chain: A
Molecule details ›
Chain: A
Length: 300 amino acids
Theoretical weight: 31.5 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WIL5 (Residues: 1-300; Coverage: 97%)
Gene names: MTCY07H7B.20, Rv3602c, panC
Sequence domains: Pantoate-beta-alanine ligase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MG 2 x MG
Ligand ATP 1 x ATP
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: C2
Unit cell:
a: 118.953Å b: 44.877Å c: 82.125Å
α: 90° β: 125.26° γ: 90°
R-values:
R R work R free
0.152 0.15 0.169
Expression system: Escherichia coli BL21(DE3)

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Citations

10 review citations

Coenzyme A biosynthesis: an antimicrobial drug target.
Spry et al. (2008)
9 more

4 mentions without citation

Integrated biophysical approach to fragment screening and validation for fragment-based lead discovery.
Silvestre et al. (2013)
3 more