Binding information for 2gm1_ligand_2_32.mol2(FDBF07593)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gm1_ligand_2_32.mol2 | 2gm1 | 1 | -6.39 | CNC(=O)c1ccc(cc1)C | 11 |
Structure and binding mode of 2gm1_ligand_2_32.mol2(FDBF07593)
Important binding residues for 2gm1_ligand_2_32.mol2(FDBF07593)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gm1 | GLY117 | -0.68 | 0.42 | -0.26 | -0.05 | -0.31 |
| 2gm1 | GLU118 | -1.71 | 0.06 | -1.65 | 0.40 | -1.25 |
| 2gm1 | ARG119 | -2.25 | 0.77 | -1.48 | 0.51 | -0.97 |
| 2gm1 | TRP127 | -0.98 | -0.09 | -1.07 | 0.31 | -0.75 |
| 2gm1 | LEU132 | -0.27 | 0.05 | -0.22 | -0.14 | -0.36 |
| 2gm1 | ALA133 | -0.68 | 0.44 | -0.24 | -0.21 | -0.45 |
| 2gm1 | PRO137 | -0.38 | 0.13 | -0.25 | -0.11 | -0.36 |
| 2gm1 | ALA218 | -0.27 | 0.23 | -0.04 | -0.31 | -0.35 |
