Binding information for 1sqc_ligand_3_0.mol2(FDBF00170)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sqc_ligand_3_0.mol2 | 1sqc | 0.529412 | -6.17 | [N+](O)(C)(C)CCC | 7 |
Structure and binding mode of 1sqc_ligand_3_0.mol2(FDBF00170)
Important binding residues for 1sqc_ligand_3_0.mol2(FDBF00170)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sqc | TRP312 | -1.71 | -22.82 | -24.53 | 22.58 | -1.95 |
| 1sqc | PHE365 | -1.51 | 0.13 | -1.38 | -0.37 | -1.74 |
| 1sqc | ASP376 | -0.03 | -41.35 | -41.38 | 40.34 | -1.04 |
| 1sqc | TRP489 | -1.70 | -0.72 | -2.42 | 1.47 | -0.95 |
| 1sqc | TYR609 | -0.62 | -15.16 | -15.78 | 15.45 | -0.33 |
