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› 4mb2

X-ray diffraction
2.19Å resolution

Crystal structure of TON1374 in complex with ATP

Released:
DOI: 10.2210/pdb4mb2/pdb
Model geometry
Fit model/data
PDB entry 4mb2 coloured by chain, front view.
PDB entry 4mb2 coloured by chain, side view.
PDB entry 4mb2 coloured by chain, top view.
Source organism: Thermococcus onnurineus NA1
Primary publication:
The crystal structure of a novel phosphopantothenate synthetase from the hyperthermophilic archaea, Thermococcus onnurineus NA1.
Kim MK, An YJ, Cha SS
Biochem Biophys Res Commun 439 533-8 (2013)
PMID: 24021277

Function and Biology Details

Reaction catalysed: 
(R)-4-phosphopantoate + beta-alanine + ATP = (R)-4'-phosphopantothenate +AMP + diphosphate + H(+).
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-110440 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-phosphopantoate--beta-alanine ligase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 261 amino acids
Theoretical weight: 29.73 KDa
Source organism: Thermococcus onnurineus NA1
Expression system: Escherichia coli
UniProt:
  • Canonical: B6YXQ1 (Residues: 1-261; Coverage: 100%)
Gene name: TON_1374
Sequence domains: Phosphopantothenate/pantothenate synthetase
Structure domains: Phosphopantoate/pantothenate synthetase

Ligands and Environments

2 bound ligands:
Ligand ATP 4 x ATP
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PHOTON FACTORY BEAMLINE BL-17A
Spacegroup: C2
Unit cell:
a: 266.428Å b: 60.909Å c: 75.241Å
α: 90° β: 92.38° γ: 90°
R-values:
R R work R free
0.204 0.201 0.26
Expression system: Escherichia coli

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Citations

2 citation in other articles

Crystal structure of phosphopantothenate synthetase from Thermococcus kodakarensis.
Kishimoto et al. (2014)
1 more