Binding information for 3ge7_ligand_2_7.mol2(FDBF07405)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ge7_ligand_2_7.mol2 | 3ge7 | 0.882353 | -6.19 | C1(CCCC1)C[NH2+]C | 8 |
Structure and binding mode of 3ge7_ligand_2_7.mol2(FDBF07405)
Important binding residues for 3ge7_ligand_2_7.mol2(FDBF07405)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ge7 | VAL45 | -0.86 | 1.34 | 0.48 | -1.26 | -0.78 |
| 3ge7 | GLN107 | -0.91 | -15.62 | -16.53 | 16.17 | -0.36 |
| 3ge7 | GLY261 | -0.45 | 2.10 | 1.65 | -2.28 | -0.63 |
| 3ge7 | ASP280 | 0.79 | -52.53 | -51.74 | 47.41 | -4.32 |
| 3ge7 | VAL282 | -0.35 | 0.80 | 0.45 | -0.84 | -0.38 |
