Binding information for 1yt7_ligand_2_51.mol2(FDBF00198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt7_ligand_2_51.mol2 | 1yt7 | 1 | -6.59 | C(C(C)(C)C)C | 6 |
Structure and binding mode of 1yt7_ligand_2_51.mol2(FDBF00198)
Important binding residues for 1yt7_ligand_2_51.mol2(FDBF00198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1yt7 | TRP26 | -0.51 | 0.00 | -0.51 | 0.14 | -0.37 |
| 1yt7 | TYR67 | -1.46 | 0.02 | -1.44 | 0.73 | -0.71 |
| 1yt7 | MET68 | -0.67 | 0.01 | -0.66 | 0.30 | -0.36 |
| 1yt7 | LEU160 | -0.79 | -0.01 | -0.8 | 0.45 | -0.35 |
| 1yt7 | ASN161 | -0.75 | 0.01 | -0.74 | 0.12 | -0.61 |
| 1yt7 | HIS162 | -0.90 | 0.00 | -0.9 | 0.13 | -0.77 |
