Binding information for 1sve_ligand_frag_6.mol2(FDBF00014)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1sve_ligand_frag_6.mol2 | 1sve | 1 | -6.26 | c1ccncc1 | 6 |
Structure and binding mode of 1sve_ligand_frag_6.mol2(FDBF00014)
Important binding residues for 1sve_ligand_frag_6.mol2(FDBF00014)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1sve | LEU49 | -0.68 | -0.12 | -0.8 | 0.23 | -0.57 |
| 1sve | VAL57 | -0.56 | -0.07 | -0.63 | -0.10 | -0.73 |
| 1sve | ALA70 | -0.67 | -0.19 | -0.86 | 0.09 | -0.77 |
| 1sve | MET120 | -0.61 | -0.08 | -0.69 | -0.02 | -0.70 |
| 1sve | TYR122 | -0.98 | -1.38 | -2.36 | 0.55 | -1.81 |
| 1sve | VAL123 | -1.15 | -1.39 | -2.54 | 0.45 | -2.09 |
| 1sve | THR183 | -0.58 | 0.30 | -0.28 | -0.16 | -0.44 |
