Binding information for 1mmq_ligand_4_11.mol2(FDBF00185)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mmq_ligand_4_11.mol2 | 1mmq | 1 | -6.73 | C(C(C)C)[C@H](C)C(=O)N | 9 |
Structure and binding mode of 1mmq_ligand_4_11.mol2(FDBF00185)
Important binding residues for 1mmq_ligand_4_11.mol2(FDBF00185)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mmq | THR180 | -0.86 | -1.98 | -2.84 | 0.94 | -1.91 |
| 1mmq | LEU181 | -1.43 | -3.08 | -4.51 | 1.31 | -3.20 |
| 1mmq | ALA215 | -0.63 | -0.14 | -0.77 | 0.23 | -0.54 |
| 1mmq | PRO238 | -0.61 | -2.68 | -3.29 | 2.51 | -0.78 |
| 1mmq | TYR240 | -1.24 | -0.07 | -1.31 | 0.27 | -1.03 |
