X-ray diffraction
1.77Å resolution

Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-1-yl)propanoic acid at 1.7A resolution.

Entry authors: Blaszczyk M, Blundell TL

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Entry contents:
1 distinct polypeptide molecule
Phosphopantetheine adenylyltransferase Chain: A
Molecule details ›
Chain: A
Length: 163 amino acids
Theoretical weight: 17.79 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
  • 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

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: R32
Unit cell:
a: 97.951Å b: 97.951Å c: 112.729Å
α: 90° β: 90° γ: 120°
R R work R free
0.193 0.192 0.221
Expression system: Escherichia coli BL21(DE3)