Binding information for 2v16_ligand_3_100.mol2(FDBF00030)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v16_ligand_3_100.mol2 | 2v16 | 1 | -6.29 | C([NH3+])CC(C)(C)C | 7 |
Structure and binding mode of 2v16_ligand_3_100.mol2(FDBF00030)
Important binding residues for 2v16_ligand_3_100.mol2(FDBF00030)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v16 | ASP32 | -1.08 | -41.77 | -42.85 | 41.14 | -1.71 |
| 2v16 | PHE117 | -0.30 | -12.35 | -12.65 | 12.31 | -0.34 |
| 2v16 | VAL120 | -0.44 | 0.99 | 0.55 | -1.06 | -0.52 |
| 2v16 | ASP215 | -0.54 | -49.63 | -50.17 | 46.76 | -3.40 |
| 2v16 | ALA218 | -0.53 | -0.06 | -0.59 | -0.49 | -1.09 |
