Binding information for 2q64_ligand_1_2.mol2(FDBF00397)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q64_ligand_1_2.mol2 | 2q64 | 1 | -6.36 | C(=O)NC(C)(C)C | 7 |
Structure and binding mode of 2q64_ligand_1_2.mol2(FDBF00397)
Important binding residues for 2q64_ligand_1_2.mol2(FDBF00397)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q64 | ILE50 | -0.68 | -0.55 | -1.23 | 0.50 | -0.73 |
| 2q64 | VAL32 | -0.56 | -0.00 | -0.56 | -0.01 | -0.57 |
| 2q64 | ILE47 | -0.64 | 0.25 | -0.39 | -0.11 | -0.49 |
| 2q64 | GLY49 | -0.61 | -1.01 | -1.62 | 0.88 | -0.74 |
