Binding information for 4tw7_ligand_2_70.mol2(FDBF01477)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tw7_ligand_2_70.mol2 | 4tw7 | 1 | -5.17 | C(C)COC=O | 6 |
Structure and binding mode of 4tw7_ligand_2_70.mol2(FDBF01477)
Important binding residues for 4tw7_ligand_2_70.mol2(FDBF01477)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tw7 | VAL86 | -0.99 | -1.87 | -2.86 | 0.54 | -2.33 |
| 4tw7 | ILE87 | -0.54 | -1.56 | -2.1 | 0.37 | -1.73 |
