› 1n2i

X-ray diffraction
1.7Å resolution

Crystal Structure of Pantothenate Synthetase from M. tuberculosis in complex with a reaction intermediate, pantoyl adenylate, different occupancies of pantoyl adenylate

Released:
DOI: 10.2210/pdb1n2i/pdb
PDB entry 1n2i coloured by chain, front view.
PDB entry 1n2i coloured by chain, side view.
PDB entry 1n2i 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

4 bound ligands:
Ligand SO4 3 x SO4
Ligand PAJ 2 x PAJ
Ligand GOL 1 x GOL
Ligand EOH 5 x EOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: P21
Unit cell:
a: 48.177Å b: 70.803Å c: 81.751Å
α: 90° β: 99.43° γ: 90°
R-values:
R R work R free
0.182 0.182 0.204
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

12 review citations

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

4 mentions without citation

Adenylating enzymes in Mycobacterium tuberculosis as drug targets.
Duckworth et al. (2012)
3 more