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. 2020 Jan 8;2020:6135696. doi: 10.1155/2020/6135696

Table 2.

Grid box scale of reverse molecular docking.

No. Protein targets (PDB ID) Control ligand Grid box scale
Center X Center Y Center Z Size X Size Y Size Z
1 1VYQ DUX 39.642 −−11.423 −9.416 20.929 18.116 18.059
2 3O8A O8A 27.327 −11.500 17.077 19.029 14.315 14.932
3 2BLA CP6 28.120 3.267 11.793 11.999 13.358 17.359
4 4FGZ CQA 19.138 26.353 14.428 31.372 25.182 30.762
5 1P9B HDA 26.315 86.090 28.993 13.599 14.757 14.304
6 2W41 ADP 7.699 −11.466 110.859 13.817 19.345 20.104
7 3UOW XMP −10.921 30.878 43.840 22.647 19.535 21.819
8 3LT0 FT1 49.285 86.071 37.026 37.026 29.896 18.603
NAD
9 3PR3 F6P 15.645 12.408 12.578 20.050 20.150 19.285
10 4J75 TYM 21.709 12.607 −0.525 21.240 29.604 28.658
11 4Y67 RC5 2.187 12.936 19.733 21.369 18.817 19.252
12 3BPF E64 −59.109 −3.131 −18.321 25.043 20.228 22.512
13 3BWK C1P 5.661 −23.586 50.308 24.306 22.568 19.700
14 3AU9 FOM 11.486 −15.360 16.082 20.921 16.018 18.591