Binding information for 1vjy_ligand_frag_0.mol2(FDBF00363)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vjy_ligand_frag_0.mol2 | 1vjy | 0.574468 | -6.60 | Cc1ccccn1 | 7 |
Structure and binding mode of 1vjy_ligand_frag_0.mol2(FDBF00363)
Important binding residues for 1vjy_ligand_frag_0.mol2(FDBF00363)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vjy | VAL219 | -0.50 | 0.16 | -0.34 | -0.11 | -0.45 |
| 1vjy | VAL231 | -0.58 | -0.06 | -0.64 | 0.09 | -0.56 |
| 1vjy | LYS232 | -1.81 | -3.16 | -4.97 | 3.09 | -1.88 |
| 1vjy | LEU260 | -0.87 | -0.81 | -1.68 | 0.98 | -0.70 |
| 1vjy | LEU278 | -1.32 | 0.12 | -1.2 | 0.14 | -1.06 |
| 1vjy | VAL279 | -0.70 | 0.02 | -0.68 | -0.13 | -0.80 |
| 1vjy | SER280 | -1.24 | 0.30 | -0.94 | 0.55 | -0.38 |
