Binding information for 1mmq_ligand_3_10.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mmq_ligand_3_10.mol2 | 1mmq | 1 | -6.01 | CC(C)C(=O)N | 6 |
Structure and binding mode of 1mmq_ligand_3_10.mol2(FDBF00026)
Important binding residues for 1mmq_ligand_3_10.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mmq | THR180 | -0.82 | -1.98 | -2.8 | 0.96 | -1.83 |
| 1mmq | LEU181 | -0.86 | -3.05 | -3.91 | 1.30 | -2.61 |
| 1mmq | PRO238 | -0.33 | -2.75 | -3.08 | 2.28 | -0.80 |
| 1mmq | TYR240 | -0.38 | -0.07 | -0.45 | 0.08 | -0.37 |
