Binding information for 2gm1_ligand_2_20.mol2(FDBF07593)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gm1_ligand_2_20.mol2 | 2gm1 | 1 | -6.41 | N(C(=O)c1ccc(cc1)C)C | 11 |
Structure and binding mode of 2gm1_ligand_2_20.mol2(FDBF07593)
Important binding residues for 2gm1_ligand_2_20.mol2(FDBF07593)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gm1 | GLY117 | -0.68 | 0.37 | -0.31 | -0.02 | -0.32 |
| 2gm1 | GLU118 | -1.70 | 0.04 | -1.66 | 0.44 | -1.21 |
| 2gm1 | ARG119 | -2.25 | 0.75 | -1.5 | 0.53 | -0.97 |
| 2gm1 | TRP127 | -1.00 | -0.09 | -1.09 | 0.32 | -0.77 |
| 2gm1 | LEU132 | -0.27 | 0.04 | -0.23 | -0.14 | -0.37 |
| 2gm1 | ALA133 | -0.68 | 0.43 | -0.25 | -0.21 | -0.46 |
| 2gm1 | PRO137 | -0.41 | 0.13 | -0.28 | -0.11 | -0.38 |
