Binding information for 2ntf_ligand_3_155.mol2(FDBF00738)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ntf_ligand_3_155.mol2 | 2ntf | 1 | -6.18 | CCC(=O)C | 5 |
Structure and binding mode of 2ntf_ligand_3_155.mol2(FDBF00738)
Important binding residues for 2ntf_ligand_3_155.mol2(FDBF00738)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ntf | TRP91 | -0.88 | 0.87 | -0.01 | -0.40 | -0.42 |
| 2ntf | TRP96 | -0.54 | -1.34 | -1.88 | 0.48 | -1.39 |
| 2ntf | TRP33 | -1.53 | -0.36 | -1.89 | 0.13 | -1.75 |
| 2ntf | HIS35 | -0.50 | -0.00 | -0.5 | 0.12 | -0.39 |
| 2ntf | THR50 | -0.50 | -0.23 | -0.73 | 0.12 | -0.61 |
