Binding information for 3m6p_ligand_2_0.mol2(FDBF00165)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m6p_ligand_2_0.mol2 | 3m6p | 0.642857 | -6.37 | CCC(=O)NO | 6 |
Structure and binding mode of 3m6p_ligand_2_0.mol2(FDBF00165)
Important binding residues for 3m6p_ligand_2_0.mol2(FDBF00165)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3m6p | LEU44 | -0.75 | -0.11 | -0.86 | 0.26 | -0.61 |
| 3m6p | SER45 | -0.26 | -0.25 | -0.51 | -0.05 | -0.56 |
| 3m6p | CYS91 | -0.87 | -0.41 | -1.28 | -0.42 | -1.70 |
| 3m6p | GLU134 | 5.22 | -21.34 | -16.12 | 13.06 | -3.06 |
| 3m6p | PHE143 | -0.06 | 1.47 | 1.41 | -1.82 | -0.41 |
