Binding information for 1yt7_ligand_2_46.mol2(FDBF00808)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt7_ligand_2_46.mol2 | 1yt7 | 1 | -6.63 | C(C(C)(C)C)OC(=O)N | 9 |
Structure and binding mode of 1yt7_ligand_2_46.mol2(FDBF00808)
Important binding residues for 1yt7_ligand_2_46.mol2(FDBF00808)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1yt7 | TRP26 | -0.95 | -1.34 | -2.29 | 1.14 | -1.16 |
| 1yt7 | GLY65 | -0.54 | -1.93 | -2.47 | 0.99 | -1.48 |
| 1yt7 | GLY66 | -0.96 | -1.04 | -2 | 1.44 | -0.56 |
| 1yt7 | TYR67 | -1.17 | 0.25 | -0.92 | 0.31 | -0.61 |
| 1yt7 | MET68 | -0.69 | 0.13 | -0.56 | 0.16 | -0.40 |
| 1yt7 | LEU160 | -0.76 | 0.05 | -0.71 | 0.35 | -0.36 |
| 1yt7 | ASN161 | -0.75 | -3.02 | -3.77 | 2.17 | -1.61 |
| 1yt7 | HIS162 | -1.25 | -0.33 | -1.58 | 0.59 | -0.99 |
