› 3pnb

X-ray diffraction
2.11Å resolution

Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with coenzyme A

Released:
DOI: 10.2210/pdb3pnb/pdb
PDB entry 3pnb coloured by chain, front view.
PDB entry 3pnb coloured by chain, side view.
PDB entry 3pnb coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Primary publication:
Structure of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase in complex with the feedback inhibitor CoA reveals only one active-site conformation.
Wubben T, Mesecar AD
Acta Crystallogr Sect F Struct Biol Cryst Commun 67 541-5 (2011)
PMID: 21543857

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
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

1 bound ligand:
Ligand COA 4 x COA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P321
Unit cell:
a: 114.459Å b: 114.459Å c: 134.47Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.216 0.215 0.248
Expression system: Escherichia coli

Quick links

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

3 mentions without citation

Data Intensive Genome Level Analysis for Identifying Novel, Non-Toxic Drug Targets for Multi Drug Resistant Mycobacterium tuberculosis.
Kaur et al. (2017)
2 more