Binding information for 2ntf_ligand_1_7.mol2(FDBF00098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ntf_ligand_1_7.mol2 | 2ntf | 1 | -5.59 | CC=O | 3 |
Structure and binding mode of 2ntf_ligand_1_7.mol2(FDBF00098)
Important binding residues for 2ntf_ligand_1_7.mol2(FDBF00098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ntf | TRP96 | -0.39 | -1.29 | -1.68 | 0.37 | -1.32 |
| 2ntf | TRP33 | -1.15 | -0.41 | -1.56 | 0.23 | -1.33 |
| 2ntf | HIS35 | -0.33 | -0.07 | -0.4 | -0.05 | -0.45 |
| 2ntf | THR50 | -0.41 | -0.24 | -0.65 | 0.18 | -0.47 |
