› 3nba

X-ray diffraction
2.68Å resolution

Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP)

Released:
DOI: 10.2210/pdb3nba/pdb
PDB entry 3nba coloured by chain, front view.
PDB entry 3nba coloured by chain, side view.
PDB entry 3nba coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Kinetic, thermodynamic, and structural insight into the mechanism of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis.
Wubben TJ, Mesecar AD
J Mol Biol 404 202-19 (2010)
PMID: 20851704

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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 177 amino acids
Theoretical weight: 19.33 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WPA5 (Residues: 1-157; Coverage: 98%)
Gene names: MTCY349.22, Rv2965c, coaD, kdtB, u0002e
Sequence domains: Cytidylyltransferase-like
Structure domains: HUPs

Ligands and Environments

2 bound ligands:
Ligand APC 4 x APC
Ligand MG 3 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P321
Unit cell:
a: 115.118Å b: 115.118Å c: 133.913Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.202 0.199 0.256
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Applications of isothermal titration calorimetry in pure and applied research--survey of the literature from 2010.
Ghai et al. (2012)
2 more

8 mentions without citation

Conjugated Aggregation-Induced Fluorescent Materials for Biofluorescent Probes: A Review.
Wang et al. (2023)
7 more