Binding information for 4tw7_ligand_3_0.mol2(FDBF04171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4tw7_ligand_3_0.mol2 | 4tw7 | 1 | -4.94 | C(O)C[NH+]1CCOCC1 | 9 |
Structure and binding mode of 4tw7_ligand_3_0.mol2(FDBF04171)
Important binding residues for 4tw7_ligand_3_0.mol2(FDBF04171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4tw7 | PHE79 | -0.60 | 2.05 | 1.45 | -1.95 | -0.50 |
| 4tw7 | GLN85 | -1.59 | -5.62 | -7.21 | 6.75 | -0.47 |
