Binding information for 1v7a_ligand_frag_2.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1v7a_ligand_frag_2.mol2 | 1v7a | 1 | -5.60 | C(O)C | 3 |
Structure and binding mode of 1v7a_ligand_frag_2.mol2(FDBF00041)
Important binding residues for 1v7a_ligand_frag_2.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1v7a | ARG101 | -0.28 | -1.34 | -1.62 | 1.19 | -0.43 |
| 1v7a | TYR102 | 0.17 | -0.91 | -0.74 | -0.11 | -0.85 |
| 1v7a | SER103 | -0.73 | -0.14 | -0.87 | 0.36 | -0.51 |
| 1v7a | MET155 | -0.36 | 0.04 | -0.32 | 0.01 | -0.31 |
