Binding information for 2v12_ligand_3_651.mol2(FDBF00198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v12_ligand_3_651.mol2 | 2v12 | 1 | -6.50 | C(C)(C)C(C)C | 6 |
Structure and binding mode of 2v12_ligand_3_651.mol2(FDBF00198)
Important binding residues for 2v12_ligand_3_651.mol2(FDBF00198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v12 | VAL36 | -0.62 | 0.00 | -0.62 | -0.11 | -0.73 |
| 2v12 | TYR83 | -1.49 | 0.02 | -1.47 | 0.43 | -1.04 |
| 2v12 | VAL127 | -0.56 | -0.00 | -0.56 | -0.07 | -0.63 |
