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Table 2 Molecular docking results of MsauOBPs with 3-Octanone and (Z)-3-hexenyl acetate

From: The antennal transcriptome analysis and characterizations of odorant-binding proteins in Megachile saussurei (Hymenoptera, Megachilidae)

Gene

3-Octanone

(Z)-3-hexenyl acetate

Mean Binding Energy (kJ/mol)

Residues Forming

H-Bond

Mean Binding Energy (kJ/mol)

Residues Forming

H-Bond

MsauOBP1

-15.48

LEU153, ALA154

-16.86

LEU153

MsauOBP2

-15.02

LYS124

-15.15

 

MsauOBP3

-17.61

LYS142

-15.90

 

MsauOBP4

-20.84

LYS65

-21.00

LYS65

MsauOBP5

  

-21.55

LYS39

MsauOBP7

-16.61

MET178

-19.25

VAL179

MsauOBP8

    

MsauOBP9

-15.77

LYS84

-20.29

 

MsauOBP10

-16.90

LEU123, ALA124

-18.41

LYS117

MsauOBP11

-17.66

PHE171

-20.25

PHE171

MsauOBP12

-13.31

PHE139

-21.67

PHE139

MsauOBP13

-17.11

ILE50

-24.02

GLU66, LYS70, PHE71

MsauOBP14

-15.69

LYS146

  

MsauOBP15

-15.86

 

-20.54

LYS26

MsauOBP16

-17.11

GLY52

-15.73

 

MsauOBP17

-16.02

ARG67, THR70

-19.92

ARG67, THR70

MsauOBP18

-16.07

LEU144

-20.25

LYS26

MsauOBP19

  

-16.69

ARG85

MsauOBP20

  

-14.48

ARG67

MsauOBP21

    
  1. Those without both binding energy and residues forming H-Bond indicate the binding sites are out of the domain of hydrophobic cavity
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BMC Genomics

ISSN: 1471-2164

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