› 4e1a

X-ray diffraction
1.62Å resolution

Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis at 1.62A resolution

Released:
DOI: 10.2210/pdb4e1a/pdb
PDB entry 4e1a coloured by chain, front view.
PDB entry 4e1a coloured by chain, side view.
PDB entry 4e1a coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
X-ray study of the conformational changes in the molecule of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis during the catalyzed reaction.
Timofeev V, Smirnova E, Chupova L, Esipov R, Kuranova I
Acta Crystallogr D Biol Crystallogr 68 1660-70 (2012)
PMID: 23151631

Function and Biology Details

Reaction catalysed: 
ATP + pantetheine 4'-phosphate = diphosphate + 3'-dephospho-CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161935 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphopantetheine adenylyltransferase Chain: A
Molecule details ›
Chain: A
Length: 161 amino acids
Theoretical weight: 17.65 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPA5 (Residues: 1-161; Coverage: 100%)
Gene names: MTCY349.22, Rv2965c, coaD, kdtB, u0002e
Sequence domains: Cytidylyltransferase-like
Structure domains: HUPs

Ligands and Environments

1 bound ligand:
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: R32
Unit cell:
a: 98.734Å b: 98.734Å c: 113.63Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.173 0.171 0.215
Expression system: Escherichia coli

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Citations

2 review citations

Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
Thomas et al. (2017)
1 more