Binding information for 4mm9_ligand_4_195.mol2(FDBF00166)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_4_195.mol2 | 4mm9 | 0.852941 | -7.24 | CO[NH2+][C@H](C)c1ccccc1 | 11 |
Structure and binding mode of 4mm9_ligand_4_195.mol2(FDBF00166)
Important binding residues for 4mm9_ligand_4_195.mol2(FDBF00166)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -1.63 | -6.54 | -8.17 | 5.03 | -3.14 |
| 4mm9 | ALA22 | -0.60 | -2.26 | -2.86 | 2.40 | -0.45 |
| 4mm9 | PRO101 | -0.45 | -0.40 | -0.85 | 0.49 | -0.36 |
| 4mm9 | VAL104 | -1.27 | 1.07 | -0.2 | -1.12 | -1.31 |
| 4mm9 | TYR108 | -1.50 | 1.02 | -0.48 | -0.81 | -1.29 |
| 4mm9 | PHE253 | -0.59 | -3.85 | -4.44 | 3.74 | -0.70 |
| 4mm9 | PHE259 | -1.02 | -1.16 | -2.18 | 0.77 | -1.41 |
| 4mm9 | VAL261 | -0.42 | 1.34 | 0.92 | -1.35 | -0.42 |
| 4mm9 | SER355 | -1.09 | 1.71 | 0.62 | -1.31 | -0.69 |
| 4mm9 | SER356 | -0.32 | 0.05 | -0.27 | -0.05 | -0.32 |
