Binding information for 2w70_ligand_frag_1.mol2(FDBF01417)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2w70_ligand_frag_1.mol2 | 2w70 | 1 | -6.33 | c1ccnc(n1)N | 7 |
Structure and binding mode of 2w70_ligand_frag_1.mol2(FDBF01417)
Important binding residues for 2w70_ligand_frag_1.mol2(FDBF01417)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2w70 | ILE157 | -1.03 | -0.16 | -1.19 | 0.11 | -1.08 |
| 2w70 | LYS159 | -0.55 | -4.38 | -4.93 | 3.21 | -1.73 |
| 2w70 | GLU201 | -0.56 | -3.58 | -4.14 | 2.24 | -1.89 |
| 2w70 | LYS202 | -0.26 | -2.76 | -3.02 | 1.26 | -1.76 |
| 2w70 | TYR203 | -1.57 | -1.23 | -2.8 | 0.44 | -2.36 |
| 2w70 | LEU204 | -0.40 | -2.77 | -3.17 | 1.65 | -1.51 |
| 2w70 | LEU278 | -0.60 | 0.45 | -0.15 | -0.36 | -0.52 |
| 2w70 | ILE287 | -0.36 | -0.08 | -0.44 | 0.08 | -0.37 |
