Binding information for 4y2x_ligand_frag_1.mol2(FDBF00324)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4y2x_ligand_frag_1.mol2 | 4y2x | 1 | -7.55 | C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3 | 10 |
Structure and binding mode of 4y2x_ligand_frag_1.mol2(FDBF00324)
Important binding residues for 4y2x_ligand_frag_1.mol2(FDBF00324)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4y2x | PRO268 | -0.59 | -0.00 | -0.59 | 0.25 | -0.34 |
| 4y2x | TYR383 | -1.50 | 0.12 | -1.38 | 0.63 | -0.74 |
| 4y2x | LEU408 | -0.93 | -0.01 | -0.94 | 0.05 | -0.89 |
| 4y2x | LEU428 | -0.49 | 0.09 | -0.4 | 0.05 | -0.34 |
| 4y2x | VAL498 | -0.61 | 0.01 | -0.6 | -0.36 | -0.96 |
