Binding information for 3gm0_ligand_frag_0.mol2(FDBF07116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gm0_ligand_frag_0.mol2 | 3gm0 | 0.804348 | -6.86 | O1c2ccccc2OC1 | 9 |
Structure and binding mode of 3gm0_ligand_frag_0.mol2(FDBF07116)
Important binding residues for 3gm0_ligand_frag_0.mol2(FDBF07116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3gm0 | TYR41 | -2.33 | 0.30 | -2.03 | 0.58 | -1.46 |
| 3gm0 | TYR58 | -0.94 | 0.08 | -0.86 | 0.49 | -0.37 |
| 3gm0 | PHE106 | -1.20 | -0.21 | -1.41 | 0.47 | -0.95 |
| 3gm0 | TRP232 | -1.26 | -0.23 | -1.49 | 0.85 | -0.64 |
| 3gm0 | PHE237 | -1.23 | -0.64 | -1.87 | 0.83 | -1.04 |
