Binding information for 2ntf_ligand_1_8.mol2(FDBF00098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ntf_ligand_1_8.mol2 | 2ntf | 1 | -5.54 | C(=O)C | 3 |
Structure and binding mode of 2ntf_ligand_1_8.mol2(FDBF00098)
Important binding residues for 2ntf_ligand_1_8.mol2(FDBF00098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ntf | TRP96 | -0.42 | -1.29 | -1.71 | 0.32 | -1.39 |
| 2ntf | TRP33 | -1.08 | -0.36 | -1.44 | 0.06 | -1.38 |
| 2ntf | HIS35 | -0.43 | -0.04 | -0.47 | 0.02 | -0.45 |
| 2ntf | THR50 | -0.33 | -0.23 | -0.56 | 0.16 | -0.40 |
