› 1n2e

X-ray diffraction
1.6Å resolution

Crystal Structure of a Pantothenate Synthetase from M. tuberculosis in complex with AMPCPP and pantoate

Released:
DOI: 10.2210/pdb1n2e/pdb
PDB entry 1n2e coloured by chain, front view.
PDB entry 1n2e coloured by chain, side view.
PDB entry 1n2e coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate.
Wang S, Eisenberg D
Protein Sci 12 1097-108 (2003)
PMID: 12717031

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 Chains: A, B
Molecule details ›
Chains: A, B
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

6 bound ligands:
Ligand SO4 2 x SO4
Ligand APC 2 x APC
Ligand PAF 1 x PAF
Ligand GOL 2 x GOL
Ligand EOH 4 x EOH
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: P21
Unit cell:
a: 48.274Å b: 70.824Å c: 81.798Å
α: 90° β: 99.28° γ: 90°
R-values:
R R work R free
0.188 0.188 0.209
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

14 review citations

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

4 mentions without citation

Crystal structures of a pantothenate synthetase from M. tuberculosis and its complexes with substrates and a reaction intermediate.
Wang et al. (2003)
3 more