Binding information for 2v0z_ligand_3_804.mol2(FDBF00036)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v0z_ligand_3_804.mol2 | 2v0z | 1 | -6.34 | C(C[NH3+])CC(C)C | 7 |
Structure and binding mode of 2v0z_ligand_3_804.mol2(FDBF00036)
Important binding residues for 2v0z_ligand_3_804.mol2(FDBF00036)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v0z | VAL30 | -0.65 | 0.59 | -0.06 | -0.49 | -0.55 |
| 2v0z | ASP32 | -0.73 | -49.16 | -49.89 | 45.98 | -3.90 |
| 2v0z | TYR75 | -1.62 | 2.18 | 0.56 | -1.73 | -1.17 |
| 2v0z | PHE117 | -0.57 | -12.68 | -13.25 | 12.65 | -0.60 |
| 2v0z | VAL120 | -0.58 | 1.08 | 0.5 | -1.12 | -0.61 |
| 2v0z | ASP215 | 0.90 | -55.29 | -54.39 | 47.37 | -7.01 |
| 2v0z | ALA218 | -0.42 | -0.46 | -0.88 | -0.21 | -1.09 |
