Binding information for 2ntf_ligand_1_9.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ntf_ligand_1_9.mol2 | 2ntf | 1 | -5.91 | C(=O)(N)C | 4 |
Structure and binding mode of 2ntf_ligand_1_9.mol2(FDBF00015)
Important binding residues for 2ntf_ligand_1_9.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ntf | TRP33 | -1.41 | -0.09 | -1.5 | 0.11 | -1.40 |
| 2ntf | HIS35 | 1.09 | -3.85 | -2.76 | 0.96 | -1.79 |
| 2ntf | GLY95 | -0.24 | -2.41 | -2.65 | 1.23 | -1.41 |
| 2ntf | SER96 | -0.23 | -1.15 | -1.38 | 0.23 | -1.15 |
| 2ntf | ASN100A | -0.33 | -3.06 | -3.39 | 3.00 | -0.38 |
