Binding information for 3avz_ligand_1_12.mol2(FDBF07662)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3avz_ligand_1_12.mol2 | 3avz | 0.5 | -5.03 | C(C=O)/N=C\O | 6 |
Structure and binding mode of 3avz_ligand_1_12.mol2(FDBF07662)
Important binding residues for 3avz_ligand_1_12.mol2(FDBF07662)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3avz | HIS41 | -0.39 | -0.43 | -0.82 | 0.32 | -0.51 |
| 3avz | LEU141 | -0.20 | -0.34 | -0.54 | -0.10 | -0.64 |
| 3avz | GLY143 | -0.53 | -0.97 | -1.5 | 1.01 | -0.49 |
| 3avz | MET165 | -0.52 | 0.13 | -0.39 | -0.07 | -0.45 |
