3RQ5

Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with CoA

3RQ5 の概要

• エントリーDOI: 10.2210/pdb3rq5/pdb
• 関連するPDBエントリー: 1KYH 3RPZ 3RQ6 3RQ8 3RQH 3RQQ 3RQX
• 分子名称: ADP/ATP-dependent NAD(P)H-hydrate dehydratase, COENZYME A, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: structural genomics, psi-biology, protein structure initiative, midwest center for structural genomics, mcsg, lyase, lyase-lyase substrate complex, lyase/lyase substrate
• 由来する生物種: Bacillus subtilis
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 31128.16

構造登録者

Shumilin, I.A.,Cymborowski, M.,Joachimiak, A.,Minor, W.,Midwest Center for Structural Genomics (MCSG) (登録日: 2011-04-27, 公開日: 2011-07-27, 最終更新日: 2023-09-13)

主引用文献

Shumilin, I.A.,Cymborowski, M.,Chertihin, O.,Jha, K.N.,Herr, J.C.,Lesley, S.A.,Joachimiak, A.,Minor, W.
Identification of unknown protein function using metabolite cocktail screening.
Structure, 20:1715-1725, 2012

PubMed Abstract: Proteins of unknown function comprise a significant fraction of sequenced genomes. Defining the roles of these proteins is vital to understanding cellular processes. Here, we describe a method to determine a protein function based on the identification of its natural ligand(s) by the crystallographic screening of the binding of a metabolite library, followed by a focused search in the metabolic space. The method was applied to two protein families with unknown function, PF01256 and YjeF_N. The PF01256 proteins, represented by YxkO from Bacillus subtilis and the C-terminal domain of Tm0922 from Thermotoga maritima, were shown to catalyze ADP/ATP-dependent NAD(P)H-hydrate dehydratation, a previously described orphan activity. The YjeF_N proteins, represented by mouse apolipoprotein A-I binding protein and the N-terminal domain of Tm0922, were found to interact with an adenosine diphosphoribose-related substrate and likely serve as ADP-ribosyltransferases. Crystallographic screening of metabolites serves as an efficient tool in functional analyses of uncharacterized proteins.

PubMed: 22940582
DOI: 10.1016/j.str.2012.07.016

実験手法

X-RAY DIFFRACTION (1.7 Å)