Binding information for 3bv9_ligand_1_0.mol2(FDBF04706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bv9_ligand_1_0.mol2 | 3bv9 | 1 | -5.28 | C(=[NH2])C | 3 |
Structure and binding mode of 3bv9_ligand_1_0.mol2(FDBF04706)
Important binding residues for 3bv9_ligand_1_0.mol2(FDBF04706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bv9 | GLU146 | -0.03 | -35.55 | -35.58 | 35.04 | -0.54 |
| 3bv9 | GLU192 | -0.37 | -19.89 | -20.26 | 19.71 | -0.54 |
| 3bv9 | ASP194 | -0.10 | -17.69 | -17.79 | 17.47 | -0.33 |
| 3bv9 | SER195 | -0.28 | -0.78 | -1.06 | 0.55 | -0.51 |
| 3bv9 | GLY216 | -0.50 | -1.84 | -2.34 | 1.95 | -0.39 |
| 3bv9 | GLU217 | -0.13 | -44.26 | -44.39 | 42.67 | -1.73 |
| 3bv9 | CYS220 | -0.24 | -2.28 | -2.52 | 1.57 | -0.95 |
