Binding information for 1svh_ligand_frag_7.mol2(FDBF00014)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1svh_ligand_frag_7.mol2 | 1svh | 1 | -6.39 | c1ccncc1 | 6 |
Structure and binding mode of 1svh_ligand_frag_7.mol2(FDBF00014)
Important binding residues for 1svh_ligand_frag_7.mol2(FDBF00014)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1svh | LEU49 | -0.63 | -0.08 | -0.71 | 0.18 | -0.54 |
| 1svh | VAL57 | -0.54 | -0.05 | -0.59 | -0.10 | -0.69 |
| 1svh | ALA70 | -0.68 | -0.21 | -0.89 | 0.10 | -0.78 |
| 1svh | MET120 | -0.58 | -0.06 | -0.64 | -0.01 | -0.64 |
| 1svh | TYR122 | -0.99 | -1.54 | -2.53 | 0.51 | -2.01 |
| 1svh | VAL123 | -1.01 | -1.94 | -2.95 | 0.61 | -2.35 |
| 1svh | LEU173 | -1.04 | -0.09 | -1.13 | -0.04 | -1.18 |
| 1svh | THR183 | -0.56 | 0.33 | -0.23 | -0.24 | -0.47 |
