Binding information for 1yt7_ligand_1_7.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yt7_ligand_1_7.mol2 | 1yt7 | 1 | -6.46 | CC(C)(C)C | 5 |
Structure and binding mode of 1yt7_ligand_1_7.mol2(FDBF00007)
Important binding residues for 1yt7_ligand_1_7.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1yt7 | TRP26 | -0.49 | 0.00 | -0.49 | 0.12 | -0.36 |
| 1yt7 | TYR67 | -1.08 | 0.02 | -1.06 | 0.57 | -0.50 |
| 1yt7 | MET68 | -0.64 | 0.01 | -0.63 | 0.27 | -0.36 |
| 1yt7 | LEU160 | -0.70 | -0.00 | -0.7 | 0.39 | -0.32 |
| 1yt7 | ASN161 | -0.70 | 0.02 | -0.68 | 0.11 | -0.58 |
| 1yt7 | HIS162 | -0.82 | -0.01 | -0.83 | 0.13 | -0.70 |
