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Table 1 Modeling data for TaOMT2*

From: Structure-function relationships of wheat flavone O-methyltransferase: Homology modeling and site-directed mutagenesis

Ligand Methylated product H-bond (Å) Distance from SAH-S(Å)
Tricetin 3'OH→3'OMe -Asp263γCOO- - 3'OH → 1.53 4.92
   -His262δNH - 5'OH →2.08  
   -Glu322δCOO- - 5'OH → 2.11  
   -Asn124δNH2 -5O → 1.74  
Selgin 5'OH→5'OMe -Gly305CO - 7OH → 2.10 5.72
   -Asn124δNH2 - 4O →1.87  
   -Asn124δO - 5OH → 2.0  
   -Trp259CO - 4'OH → 2.61  
   -Asp263γCOO- - 5'OH → 2.30  
   -Asp263γCOO- - 4'OH → 2.05  
Tricin 4'OH→4'OMe -Gly305CO-7OH → 1.92 6.56
   -Asn124δNH2 -4O → 1.60  
   -Asn124δO-5OH → 2.13  
   -Asp263γCOO--4'OH → 1.76  
  1. *Tricetin, selgin, and tricin were docked manually into TaOMT2 using FlexX Single Receptor Module in Sybyl, and the H-bond distances were measured between the ligand hydroxyls and functional groups of neighboring residues as well as the catalytic site SAH-S.