3ND6

Crystal structure of phosphopantetheine adenylyltransferase (PPAT) in complex with ATP from Enterococcus faecalis

3ND6 の概要

• エントリーDOI: 10.2210/pdb3nd6/pdb
• 関連するPDBエントリー: 3ND5 3ND7
• 分子名称: Phosphopantetheine adenylyltransferase, ADENOSINE-5'-TRIPHOSPHATE (3 entities in total)
• 機能のキーワード: phosphopantetheine adenylyltransferase, ppat, coenzyme a biosynthetic pathway, transferase
• 由来する生物種: Enterococcus faecalis (Streptococcus faecalis)
• 細胞内の位置: Cytoplasm (By similarity): Q831P9
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 121666.86

構造登録者

Yoon, H.J.,Lee, H.H.,Suh, S.W. (登録日: 2010-06-07, 公開日: 2011-06-22, 最終更新日: 2023-11-01)

主引用文献

Yoon, H.J.,Kang, J.Y.,Mikami, B.,Lee, H.H.,Suh, S.W.
Crystal structure of phosphopantetheine adenylyltransferase from Enterococcus faecalis in the ligand-unbound state and in complex with ATP and pantetheine
Mol.Cells, 32:431-435, 2011

PubMed Abstract: Phosphopantetheine adenylyltransferase (PPAT) catalyzes the reversible transfer of an adenylyl group from ATP to 4'-phosphopantetheine (Ppant) to form dephospho-CoA (dPCoA) and pyrophosphate in the Coenzyme A (CoA) biosynthetic pathway. Importantly, PPATs are the potential target for developing antibiotics because bacterial and mammalian PPATs share little sequence homology. Previous structural studies revealed the mechanism of the recognizing substrates and products. The binding modes of ATP, ADP, Ppant, and dPCoA are highly similar in all known structures, whereas the binding modes of CoA or 3'-phosphoadenosine 5'-phosphosulfate binding are novel. To provide further structural information on ligand binding by PPATs, the crystal structure of PPAT from Enterococcus faecalis was solved in three forms: (i) apo form, (ii) binary complex with ATP, and (iii) binary complex with pantetheine. The substrate analog, pantetheine, binds to the active site in a similar manner to Ppant. The new structural information reported in this study including pantetheine as a potent inhibitor of PPAT will supplement the existing structural data and should be useful for structure-based antibacterial discovery against PPATs.

PubMed: 21912874
DOI: 10.1007/s10059-011-0102-y

実験手法

X-RAY DIFFRACTION (2.3 Å)