Table 1. Wrapping study of the T-p53C protein molecule (pdb: 1UOL), the T-p53C-Y220C protein (pdb: 2J1X) and the complex between p53C-Y220C and the small molecule PhiKan083 (pdb: 2VUK).
HB | ρA-wt | ρA | ρAD |
Arg 110– Trp 146 | 24 | 24 | 28 |
Leu 145– Thr 230 | 18 | 17 | 19 |
Tyr/Cys 220– Thr 155 | 23 | 18 | 20 |
The wrapping value of the HBs of the protein chain that occur at the mutation site (mutation Y220C) and that are targeted by PhiKan083 is indicated respectively as ρA-wt, ρA and ρAD.