Table 12: Crypto-chlorogenic acid interaction. | ||||
Polar |
Hydrophobic |
pi-pi |
cation-pi |
Other |
O (4) GLU32 |
C (3) ALA98 |
C (16) TRP94 |
H (4) TRP94 |
O (5) GLU32 [3.77] – (CB) |
O (8) TRP94 [3.73] – (NE1) |
|
C (15) HIS113 |
H (5) HIS113 |
O (4) GLU32 [3.90] – (CD) |
H (4) TRP94 [3.40] – (NE1) |
|
C (16) HIS113 [3.73] – (CE1) |
H (5) TYR116 |
C (4) GLU32 [3.66] – (OE2) |
O (1) ASP97 [3.69] – (OD1) |
|
|
|
C (6) GLU32 [3.64] – (OE2) |
O (7) ASP97 [3.57] – (OD1) |
|
|
|
O (2) LYS38 [3.42] – (CE) |
O (3) ASP97 [3.28] – (OD1) |
|
|
|
H (1) LYS38 [3.43] – (CE) |
H (2) ASP97 [2.48] – (OD1) |
|
|
|
O (8) TRP94 |
H (5) HIS113 |
|
|
|
O (9) TRP94 [3.49] – (CZ2) |
O (6) SER285 [3.82] – (OG) |
|
|
|
H (2) ASP97 |
|
|
|
|
C (2) ASP97 [3.56] – (OD1) |
|
|
|
|
C (8) ASP97 [3.24] – (OD1) |
|
|
|
|
C (9) ASP97 [2.97] – (OD1) |
|
|
|
|
O (3) ALA98 [3.26] – (CB) |
|
|
|
|
H (2) ALA98 [3.26] – (CB) |
|
|
|
|
H (4) VAL112 |
|
|
|
|
O (8) VAL112 [3.54] – (CG2) |
|
|
|
|
O (9) HIS113 [3.81] – (CD2) |
|
|
|
|
C (16) HIS113 [3.56] – (NE2) |
|
|
|
|
C (15) HIS113 [3.28] – (NE2) |
|
|
|
|
C (13) HIS113 [3.75] – (NE2) |
|
|
|
|
O (9) TYR116 [3.86] – (CB) |
|
|
|
|
O () ILE185 [3.76] – (CD1) |
|
|
|
|
H3 () ILE185 [3.63] – (CD1) |