Binding information for 2avv_ligand_1_2.mol2(FDBF00397)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2avv_ligand_1_2.mol2 | 2avv | 1 | -6.35 | C(C)(C)(C)NC=O | 7 |
Structure and binding mode of 2avv_ligand_1_2.mol2(FDBF00397)
Important binding residues for 2avv_ligand_1_2.mol2(FDBF00397)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2avv | ILE47 | -0.70 | 0.28 | -0.42 | -0.24 | -0.66 |
| 2avv | GLY49 | -0.55 | -0.88 | -1.43 | 0.74 | -0.69 |
| 2avv | ILE84 | -0.54 | -0.05 | -0.59 | 0.04 | -0.55 |
