Binding information for 1x7e_ligand_frag_1.mol2(FDBF00569)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1x7e_ligand_frag_1.mol2 | 1x7e | 1 | -5.37 | CC#N | 3 |
Structure and binding mode of 1x7e_ligand_frag_1.mol2(FDBF00569)
Important binding residues for 1x7e_ligand_frag_1.mol2(FDBF00569)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1x7e | MET421 | -0.75 | 0.41 | -0.34 | -0.29 | -0.63 |
| 1x7e | ILE424 | -0.78 | 0.18 | -0.6 | -0.21 | -0.81 |
| 1x7e | PHE425 | -0.54 | -0.00 | -0.54 | 0.09 | -0.46 |
| 1x7e | LEU428 | -0.38 | -0.12 | -0.5 | 0.14 | -0.37 |
