Binding information for 2p7g_ligand_1_1.mol2(FDBF04962)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p7g_ligand_1_1.mol2 | 2p7g | 0.757576 | -7.72 | C(C)(C)c1ccc(cc1)O | 10 |
Structure and binding mode of 2p7g_ligand_1_1.mol2(FDBF04962)
Important binding residues for 2p7g_ligand_1_1.mol2(FDBF04962)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2p7g | LEU268 | -0.84 | -0.60 | -1.44 | 0.64 | -0.80 |
| 2p7g | CYS269 | -0.58 | -0.04 | -0.62 | 0.21 | -0.41 |
| 2p7g | LEU271 | -0.81 | 0.17 | -0.64 | -0.39 | -1.03 |
| 2p7g | ALA272 | -0.79 | -0.01 | -0.8 | -0.16 | -0.96 |
| 2p7g | GLU275 | 1.28 | -11.04 | -9.76 | 9.08 | -0.68 |
| 2p7g | LEU309 | -1.48 | 0.20 | -1.28 | -0.23 | -1.51 |
| 2p7g | ILE310 | -0.67 | 0.18 | -0.49 | -0.10 | -0.58 |
| 2p7g | GLY312 | -0.09 | -0.24 | -0.33 | -0.01 | -0.34 |
| 2p7g | VAL313 | -0.69 | -0.23 | -0.92 | -0.10 | -1.02 |
| 2p7g | ARG316 | -0.05 | -2.75 | -2.8 | 1.44 | -1.36 |
| 2p7g | TYR326 | -1.44 | -0.52 | -1.96 | 0.78 | -1.18 |
| 2p7g | PHE435 | -0.90 | -0.27 | -1.17 | 0.74 | -0.44 |
