Richards NG

References (2)

Title : Computational, structural, and kinetic evidence that Vibrio vulnificus FrsA is not a cofactor-independent pyruvate decarboxylase - Kellett_2013_Biochemistry_52_1842
Author(s) : Kellett WF , Brunk E , Desai BJ , Fedorov AA , Almo SC , Gerlt JA , Rothlisberger U , Richards NG
Ref : Biochemistry , 52 :1842 , 2013
Abstract : The fermentation-respiration switch (FrsA) protein in Vibrio vulnificus was recently reported to catalyze the cofactor-independent decarboxylation of pyruvate. We now report quantum mechanical/molecular mechenical calculations that examine the energetics of C-C bond cleavage for a pyruvate molecule bound within the putative active site of FrsA. These calculations suggest that the barrier to C-C bond cleavage in the bound substrate is 28 kcal/mol, which is similar to that estimated for the uncatalyzed decarboxylation of pyruvate in water at 25 degrees C. In agreement with the theoretical predictions, no pyruvate decarboxylase activity was detected for recombinant FrsA protein that could be crystallized and structurally characterized. These results suggest that the functional annotation of FrsA as a cofactor-independent pyruvate decarboxylase is incorrect.
ESTHER : Kellett_2013_Biochemistry_52_1842
PubMedSearch : Kellett_2013_Biochemistry_52_1842
PubMedID: 23452154
Gene_locus related to this paper: vibvy-y856

Title : Synthetic studies on the solanacol ABC ring system by cation-initiated cascade cyclization: implications for strigolactone biosynthesis - Chojnacka_2011_Org.Biomol.Chem_9_5350
Author(s) : Chojnacka K , Santoro S , Awartani R , Richards NG , Himo F , Aponick A
Ref : Org Biomol Chem , 9 :5350 , 2011
Abstract : We report a new method for constructing the ABC ring system of strigolactones, in a single step from a simple linear precursor by acid-catalyzed double cyclization. The reaction proceeds with a high degree of stereochemical control, which can be qualitatively rationalized using DFT calculations. Our concise synthetic approach offers a new model for thinking about the (as yet) unknown chemistry that is employed in the biosynthetic pathways leading to this class of plant hormones.
ESTHER : Chojnacka_2011_Org.Biomol.Chem_9_5350
PubMedSearch : Chojnacka_2011_Org.Biomol.Chem_9_5350
PubMedID: 21706088