Binding information for 2ntf_ligand_4_315.mol2(FDBF00743)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ntf_ligand_4_315.mol2 | 2ntf | 0.875 | -6.36 | C(CC(=O)C)C | 6 |
Structure and binding mode of 2ntf_ligand_4_315.mol2(FDBF00743)
Important binding residues for 2ntf_ligand_4_315.mol2(FDBF00743)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ntf | TRP91 | -1.13 | 0.83 | -0.3 | -0.35 | -0.66 |
| 2ntf | TRP96 | -0.55 | -1.38 | -1.93 | 0.52 | -1.41 |
| 2ntf | TRP33 | -1.72 | -0.32 | -2.04 | 0.19 | -1.85 |
| 2ntf | HIS35 | -0.51 | -0.01 | -0.52 | 0.15 | -0.38 |
| 2ntf | THR50 | -0.51 | -0.23 | -0.74 | 0.12 | -0.62 |
