Binding information for 2v0z_ligand_3_749.mol2(FDBF00198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v0z_ligand_3_749.mol2 | 2v0z | 1 | -6.49 | CC(C)C(C)C | 6 |
Structure and binding mode of 2v0z_ligand_3_749.mol2(FDBF00198)
Important binding residues for 2v0z_ligand_3_749.mol2(FDBF00198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v0z | VAL30 | -0.64 | 0.00 | -0.64 | -0.11 | -0.75 |
| 2v0z | TYR75 | -1.51 | -0.00 | -1.51 | 0.50 | -1.01 |
| 2v0z | PHE117 | -0.61 | 0.04 | -0.57 | 0.18 | -0.40 |
| 2v0z | VAL120 | -0.52 | 0.00 | -0.52 | -0.15 | -0.67 |
