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PDBsum entry 3rtc

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Lyase PDB id
3rtc
Contents
Protein chain
489 a.a.
Ligands
ALA-PRO-ALA-TRP-
LEU-PHE-GLU-ALA
NAD ×2
ATP
Metals
__K
_MG
Waters ×125

References listed in PDB file
Key reference
Title Identification of unknown protein function using metabolite cocktail screening.
Authors I.A.Shumilin, M.Cymborowski, O.Chertihin, K.N.Jha, J.C.Herr, S.A.Lesley, A.Joachimiak, W.Minor.
Ref. Structure, 2012, 20, 1715-1725.
PubMed id 22940582
Note: In the PDB file this reference is annotated as "TO BE PUBLISHED". The citation details given above have been manually determined.
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.
PROCHECK
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 Headers

 

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