Binding information for 2g24_ligand_2_7.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g24_ligand_2_7.mol2 | 2g24 | 1 | -6.41 | N(c1ccccc1)C | 8 |
Structure and binding mode of 2g24_ligand_2_7.mol2(FDBF00049)
Important binding residues for 2g24_ligand_2_7.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g24 | TYR78 | -0.80 | -0.05 | -0.85 | 0.17 | -0.67 |
| 2g24 | PRO113 | -1.23 | -0.27 | -1.5 | 0.43 | -1.07 |
| 2g24 | PHE114 | -1.06 | -0.46 | -1.52 | 0.52 | -1.00 |
| 2g24 | ALA117 | -0.52 | -0.05 | -0.57 | -0.02 | -0.59 |
| 2g24 | PHE119 | -0.91 | -0.35 | -1.26 | 0.59 | -0.67 |
