Binding information for 1tps_ligand_4_2565.mol2(FDBF06098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tps_ligand_4_2565.mol2 | 1tps | 1 | -5.49 | [C@@H](O)(C)C(=O)NCC | 8 |
Structure and binding mode of 1tps_ligand_4_2565.mol2(FDBF06098)
Important binding residues for 1tps_ligand_4_2565.mol2(FDBF06098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tps | TRP215 | -0.76 | 0.35 | -0.41 | -0.10 | -0.50 |
| 1tps | SER217 | -0.96 | 0.23 | -0.73 | -0.19 | -0.93 |
