Table 1.
The full fittness value of the docked pose of EGCG with the epigenetic modulators as well as the residues of the protein that interact with EGCG
| Protein | Full fitness value | Interacting residues |
|---|---|---|
| DNMT1 | – 5476.32 | 2.29֯ A H-bond with ASN693;2.20֯ A H-bond with SER1418,CYS 656,GLU 657,VAL 658, ARG 690, PRO 692, ASN 693, GLY 1380, CYS 1414, LYS 1415, ASP 1416, MET 1417, SER 1418, VAL 1421, ASN 1529, GLU 1531, PRO 1532, ILE 1569, LEU 1570 |
| DNMT3A | – 1544.02 | PHE 636, ASP 637, GLY 638, ILE 639, SER 659, GLU 660, VAL 661, CYS 662, SER 665, ASP 682, VAL 683, GLY 703, SER 704, PRO 705, CYS 706, ASN 707, THR 723, LEU 726, ARG 883, LEU 884, LEU 885, ARG 887, SER 888, TRP 889 |
| HDAC2 | – 1885.93 | GLY32, HSE33, PRO34, GLU103, ASP104, HSD145, GLY154, PHE155, HIS183, TYR209, PHE210, ASP269, ARG275, LEU276, GLY277, CYS278, TYR308, ZN |
| HDAC3 | – 1624.41 | HIS17, PRO23, ASP93, HSD135, GLY143, PHE144, LYS194, ASN197, TYR198, PHE199, PHE200, ARG265, LEU266, TYR298 |
| HDAC4 | – 1611.89 | SER674, PRO676, GLU677, ARG681, ASP759, PRO800, HSD802, HSD803, GLY811, PHE812, ASP840, ASP934, PRO940, PRO942, LEU943, GLY974, GLY975, HSD976 |
| HDAC7 | – 1684.25 | SER539, ARG540, HSD541, PRO542, ASP626, HIS669, HSD670, PHE679, HSE709, ASN736, PHE737, PHE738, ASP801, PRO809, LEU810, HIS843 |
| EZH2 | – 4030.3115 | PRO 108, ILE 109, MET 110, TYR 111, ALA 622, GLY 623, TRP 624, GLY 625, TYR 658, TYR 661, CYS 663, PHE 665, THR 678, ARG 685, PHE 686, ALA 687, ASN 688, HSE 689, TYR 726 |