Binding information for 2gm1_ligand_3_60.mol2(FDBF07593)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gm1_ligand_3_60.mol2 | 2gm1 | 1 | -6.48 | CN(C(=O)c1ccc(cc1)C)C | 12 |
Structure and binding mode of 2gm1_ligand_3_60.mol2(FDBF07593)
Important binding residues for 2gm1_ligand_3_60.mol2(FDBF07593)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gm1 | GLY117 | -0.70 | 0.44 | -0.26 | -0.05 | -0.31 |
| 2gm1 | GLU118 | -1.72 | 0.15 | -1.57 | 0.33 | -1.24 |
| 2gm1 | ARG119 | -2.28 | 0.68 | -1.6 | 0.62 | -0.98 |
| 2gm1 | TRP127 | -1.00 | -0.08 | -1.08 | 0.31 | -0.77 |
| 2gm1 | LEU132 | -0.27 | 0.04 | -0.23 | -0.14 | -0.38 |
| 2gm1 | ALA133 | -0.69 | 0.42 | -0.27 | -0.21 | -0.48 |
| 2gm1 | PRO137 | -0.41 | 0.12 | -0.29 | -0.09 | -0.39 |
| 2gm1 | ALA218 | -0.33 | 0.23 | -0.1 | -0.33 | -0.43 |
