Table 13: Kaempferol interaction.

Polar

pi-pi

cation-pi

Other

O(3)                    TRP94

[3.82]                  (NE1)

C(7)                     TRP94

[3.60]     (CD2, CE2, CE3)

H (1)                TRP94

[3.29](CD1,CD2, E2,CZ2)

O(3)                              TRP94

[3.76]                           (CE2)

H(1)                         TRP94

[3.28]                     (NE1)

C(10)                        TRP94
–           
[3.54]             (CD2, CE3)

H(3)                    TYR255

[3.44]                 (CZ)

O(4)                              TRP94

[3.82]                          (CZ2)

O(5)                         ASP97

[2.93]                     (OD1)

C(1)                      TRP94
-
[3.42] (CE2,CE3,CH2,CZ2,CZ3)

 

O(1)                    TRP94

[3.57]                     (CH2,CZ3)

H(2)                         ASP97

[2.01]                     (OD1)

C(2)                   TRP94
-
[3.25]           (CE3,CH2,CZ3)

 

H(2)                   ASP97
–               
[3.19]               (CB,CG)

O(4)      HIS113
–             
[3.74]         (ND1,NE2)

C(8)                   TRP94
–          
[3.34]               (CE3,CZ3)

 

C(9)                              ASP97

[3.32]                          (OD1)

O(2)                         HIS113

[3.78]                     (NE2)

C(9)                        TRP94
–      
[3.46]                 (CE3,CZ3)

 

C(10)                            ASP97

[3.20]                          (OD1)

O(6)                         TYR255

[3.03]                     (OH)

C(4)                           TRP94
–        
[3.50]                  (CH2,CZ2)

 

O(3)                              VAL112

[3.80]                          (CG2)

H(3)                         TYR255

[2.10]                       (OH)

C(5)                             TRP94
–            
[3.70]                    (CH2,CZ2)

 

H(1)                              VAL112

[3.42]                          (CG2)

 

C(3)                         TRP94

[3.64]                     (CH2)

 

O(2)                              HIS113

[3.40]                          (CD2)

 

C(14)                       TYR116

[3.60]                     (CE2)

 

O(4)                              HIS113

[3.63]                          (CE1)

 

C(12)                       TYR116

[3.38]                     (CE2)

 

O(2)                            TYR116

[3.25]             (CB,CD2,CE2)

Polar

pi-pi

cation-pi

Other

 

 

 

CG)

 

 

 

C(12)                                  ARG188
–            
[3.80]                               (NH1,NH2)

 

 

 

C(14)                            ARG188

[3.57]                          (NH2)

 

 

 

C(13)                            TYR255

[3.86]                          (OH)

 

 

 

C(15)                            TYR255

[3.77]                          (OH)

 

 

 

C(11)                             GLU288

[2.94]                          (CD,OE1,OE2)

 

 

 

C(6)                              GLU288

[3.74]                          (OE1)

 

 

 

C(13)                            GLU288

[3.23]                          (OE1)