Binding information for 2q63_ligand_1_2.mol2(FDBF00397)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2q63_ligand_1_2.mol2 | 2q63 | 1 | -6.35 | C(C)(C)(C)NC=O | 7 |
Structure and binding mode of 2q63_ligand_1_2.mol2(FDBF00397)
Important binding residues for 2q63_ligand_1_2.mol2(FDBF00397)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2q63 | ILE50 | -1.03 | -0.35 | -1.38 | 0.24 | -1.15 |
| 2q63 | ALA28 | -0.93 | 0.75 | -0.18 | -0.13 | -0.31 |
| 2q63 | ILE47 | -0.65 | 0.25 | -0.4 | -0.17 | -0.58 |
| 2q63 | GLY49 | -0.57 | -0.99 | -1.56 | 0.88 | -0.69 |
| 2q63 | ILE84 | -0.55 | -0.05 | -0.6 | 0.04 | -0.57 |
