Binding information for 2v0z_ligand_4_3381.mol2(FDBF00036)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v0z_ligand_4_3381.mol2 | 2v0z | 1 | -6.59 | C(C[NH3+])[C@@H](C(C)C)C | 8 |
Structure and binding mode of 2v0z_ligand_4_3381.mol2(FDBF00036)
Important binding residues for 2v0z_ligand_4_3381.mol2(FDBF00036)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v0z | VAL30 | -0.67 | 0.58 | -0.09 | -0.51 | -0.60 |
| 2v0z | ASP32 | -0.74 | -48.79 | -49.53 | 45.84 | -3.69 |
| 2v0z | TYR75 | -1.76 | 2.22 | 0.46 | -1.68 | -1.22 |
| 2v0z | PHE117 | -0.62 | -12.64 | -13.26 | 12.65 | -0.61 |
| 2v0z | VAL120 | -0.57 | 1.06 | 0.49 | -1.12 | -0.63 |
| 2v0z | ASP215 | 0.90 | -55.10 | -54.2 | 47.23 | -6.98 |
| 2v0z | ALA218 | -0.46 | -0.39 | -0.85 | -0.26 | -1.10 |
