Binding information for 2v10_ligand_4_1694.mol2(FDBF00036)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v10_ligand_4_1694.mol2 | 2v10 | 1 | -6.33 | C[C@H](C(C)C)CC[NH3+] | 8 |
Structure and binding mode of 2v10_ligand_4_1694.mol2(FDBF00036)
Important binding residues for 2v10_ligand_4_1694.mol2(FDBF00036)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v10 | VAL36 | -0.44 | 0.53 | 0.09 | -0.45 | -0.36 |
| 2v10 | PHE119 | -0.71 | 0.27 | -0.44 | -0.05 | -0.49 |
| 2v10 | PHE124 | -0.77 | 0.17 | -0.6 | -0.00 | -0.61 |
| 2v10 | GLY228 | -0.32 | -4.78 | -5.1 | 4.24 | -0.86 |
| 2v10 | ALA229 | -0.35 | 0.66 | 0.31 | -0.90 | -0.59 |
