Binding information for 4mm9_ligand_4_197.mol2(FDBF00167)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_4_197.mol2 | 4mm9 | 0.853659 | -7.70 | O[NH2+][C@H](C)c1ccc(cc1)C(F)(F)F | 14 |
Structure and binding mode of 4mm9_ligand_4_197.mol2(FDBF00167)
Important binding residues for 4mm9_ligand_4_197.mol2(FDBF00167)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -2.08 | -0.86 | -2.94 | 2.05 | -0.90 |
| 4mm9 | VAL104 | -1.73 | -0.12 | -1.85 | -0.33 | -2.18 |
| 4mm9 | ALA105 | -0.62 | -0.26 | -0.88 | 0.19 | -0.70 |
| 4mm9 | TYR108 | -1.84 | -0.41 | -2.25 | 0.58 | -1.67 |
| 4mm9 | GLY256 | -0.55 | 0.16 | -0.39 | 0.00 | -0.38 |
| 4mm9 | PHE259 | -1.08 | -0.35 | -1.43 | 0.65 | -0.77 |
| 4mm9 | VAL261 | -0.47 | 0.08 | -0.39 | -0.16 | -0.55 |
| 4mm9 | SER355 | -1.11 | 0.52 | -0.59 | -0.17 | -0.75 |
| 4mm9 | ALA358 | -0.19 | -0.31 | -0.5 | 0.14 | -0.36 |
