Binding information for 1v7a_ligand_1_1.mol2(FDBF00042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1v7a_ligand_1_1.mol2 | 1v7a | 1 | -6.01 | CC(O)C | 4 |
Structure and binding mode of 1v7a_ligand_1_1.mol2(FDBF00042)
Important binding residues for 1v7a_ligand_1_1.mol2(FDBF00042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1v7a | ARG101 | -0.29 | -1.31 | -1.6 | 1.21 | -0.40 |
| 1v7a | TYR102 | -0.05 | -0.77 | -0.82 | -0.10 | -0.93 |
| 1v7a | SER103 | -0.81 | -0.04 | -0.85 | 0.38 | -0.48 |
| 1v7a | MET155 | -0.40 | 0.00 | -0.4 | 0.01 | -0.39 |
| 1v7a | ALA183 | -0.40 | -0.05 | -0.45 | 0.14 | -0.31 |
