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. 2021 Apr 20;36:1–13. doi: 10.1016/j.jare.2021.04.007

Table 1.

The docking power, screening power, and crucial interactions of ten PI3Kγ crystal structures.

PDB ID RMSD (Å)
P value
Interactions
SP XP SP XP
2A5U 0.776 0.746 1.612 × 10-158 9.675 × 10-128 Asp964, Asp836
2V4L 0.789 0.779 2.740 × 10-193 3.007 × 10-163 Val882, Lys833
3DBS 0.830 0.816 1.961 × 10-227 3.239 × 10-208 Val882, Tyr867
3ML8 0.810 0.801 4.483 × 10-199 4.384 × 10-195 Val882, Asp964
3R7Q 0.818 0.803 1.868 × 10-205 7.619 × 10-191 Val882, Tyr867
4FJY 0.793 0.753 8.318 × 10-183 5.004 × 10-125 Val882
4FLH 0.824 0.799 2.158 × 10-212 2.889 × 10-164 Val882, Lys833
4PS7 0.816 0.798 1.970 × 10-198 3.452 × 10-178 Val882, Tyr867
4WWO 0.721 0.171 4.909 × 10-84 7.920 × 10-103 Val882
5G2N 0.849 0.835 3.441 × 10-255 6.537 × 10-253 Val88, Lys833