Binding information for 4mm7_ligand_2_0.mol2(FDBF07196)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm7_ligand_2_0.mol2 | 4mm7 | 0.857143 | -7.38 | C(C1(CCCCC1)O)C | 9 |
Structure and binding mode of 4mm7_ligand_2_0.mol2(FDBF07196)
Important binding residues for 4mm7_ligand_2_0.mol2(FDBF07196)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm7 | TYR21 | -1.37 | 0.02 | -1.35 | 0.88 | -0.47 |
| 4mm7 | PRO101 | -0.90 | -0.12 | -1.02 | 0.42 | -0.61 |
| 4mm7 | VAL104 | -0.24 | 0.10 | -0.14 | -0.21 | -0.36 |
| 4mm7 | ALA105 | -0.56 | 0.04 | -0.52 | 0.01 | -0.51 |
| 4mm7 | TYR108 | -1.80 | 0.15 | -1.65 | 0.74 | -0.91 |
| 4mm7 | PHE259 | -1.17 | -0.11 | -1.28 | 0.68 | -0.60 |
| 4mm7 | VAL261 | -0.51 | -0.08 | -0.59 | -0.00 | -0.58 |
| 4mm7 | SER355 | -1.26 | -1.57 | -2.83 | 1.15 | -1.67 |
| 4mm7 | SER356 | -0.63 | -0.01 | -0.64 | 0.14 | -0.50 |
| 4mm7 | ALA358 | -0.23 | 0.02 | -0.21 | -0.16 | -0.38 |
