Table 16: Vanillin interaction.

Polar

Hydrophobic

pi-pi

Other

O1 (1)        ASP97

C8 (11)     TRP94

C4 (7)        TRP94

O2 (2)       TRP94

              –

                –

              –

              –

[3.43]       (OD1)

[3.45]       (CE3, CZ3)

[3.69]        (CD2, CE2, CG)

[3.81]       (CG)

O2 (2)     ASP97

C7 (10)     TRP94

C6 (9)      TRP94

C5 (8)       TRP94

              –

               –

              –

              –

[3.12]     (OD1)

[3.83]       (CZ2)

[3.46]      (CD1, CD2, CE2,CG)

[3.32]       (NE1)

H1 (12)    ASP97

C5 (8)       VAL112

C2 (5)      TRP94

C6 (9)      TRP94

                –

              –

              –

             –

[2.30]     (OD1)

[3.06]      (CB, CG2)

[3.47]     (CE2, CZ2)

[3.27]      (NE1)

O3 (3)       HIS113

C6 (9)      VAL112

C5 (8)      TRP94

O2 (2)      ASP97

               –

               –

              –

               –

[3.71]       (NE2)

[3.37]      (CG2)

[3.43]       (CE2, CZ2)

[3.51]       (CB, CG)

 

C7 (10)    HIS113

C3 (6)     TRP94

H1 (12)     ASP97

               –

              – 

                –

[3.51]      (CD2, CE1, CG)

[3.80]     (CH2, CZ2)

[2.95]        (CB, CG)

 

C7 (10)      TYR116

 

C8 (11)       ASP97

                –

                –

[3.72]        (CB)

[3.75]          (OD1)

 

 

 

O3 (3)         HIS113

                –

[3.41]          (CD2, CG)

 

 

 

C7 (10)      HIS113

               –

[3.72]        (ND1, NE2)

 

 

 

O3 (3)      TYR116

             –

[3.50]     (CB, CD2, CG)