Binding information for 3egt_ligand_4_315.mol2(FDBF00416)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3egt_ligand_4_315.mol2 | 3egt | 1 | -5.99 | CCCCO | 5 |
Structure and binding mode of 3egt_ligand_4_315.mol2(FDBF00416)
Important binding residues for 3egt_ligand_4_315.mol2(FDBF00416)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3egt | TYR99 | -1.66 | 0.27 | -1.39 | -0.16 | -1.55 |
| 3egt | ASP103 | -0.53 | 1.45 | 0.92 | -1.61 | -0.69 |
| 3egt | THR168 | -0.70 | -0.01 | -0.71 | 0.00 | -0.71 |
| 3egt | ALA169 | -0.70 | -0.00 | -0.7 | -0.01 | -0.71 |
| 3egt | GLN172 | -1.69 | -0.43 | -2.12 | 1.08 | -1.05 |
