Binding information for 2ghg_ligand_frag_2.mol2(FDBF00559)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ghg_ligand_frag_2.mol2 | 2ghg | 0.82716 | -6.98 | C1C(=O)Nc2c1cccc2 | 10 |
Structure and binding mode of 2ghg_ligand_frag_2.mol2(FDBF00559)
Important binding residues for 2ghg_ligand_frag_2.mol2(FDBF00559)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ghg | LEU15 | -0.99 | -0.11 | -1.1 | 0.14 | -0.97 |
| 2ghg | VAL23 | -0.85 | -0.05 | -0.9 | -0.14 | -1.04 |
| 2ghg | ALA36 | -0.94 | -0.13 | -1.07 | 0.12 | -0.96 |
| 2ghg | VAL68 | -0.84 | 0.75 | -0.09 | -0.49 | -0.57 |
| 2ghg | LEU84 | -0.81 | 0.21 | -0.6 | -0.22 | -0.82 |
| 2ghg | GLU85 | -0.65 | -2.72 | -3.37 | 2.38 | -0.99 |
| 2ghg | TYR86 | -1.24 | -1.76 | -3 | 1.37 | -1.62 |
| 2ghg | CYS87 | 0.50 | -1.67 | -1.17 | 0.49 | -0.67 |
| 2ghg | LEU137 | -1.09 | -0.17 | -1.26 | 0.30 | -0.96 |
