|
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
| |
- *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.
