Binding information for 4n4v_ligand_frag_1.mol2(FDBF00703)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n4v_ligand_frag_1.mol2 | 4n4v | 0.74359 | -6.32 | C1C(OC(=O)N1)(C)C | 8 |
Structure and binding mode of 4n4v_ligand_frag_1.mol2(FDBF00703)
Important binding residues for 4n4v_ligand_frag_1.mol2(FDBF00703)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4n4v | PHE1208 | -1.43 | -0.26 | -1.69 | 0.36 | -1.34 |
| 4n4v | ILE1212 | -1.08 | -1.48 | -2.56 | 0.60 | -1.96 |
| 4n4v | TYR1213 | -1.05 | -0.47 | -1.52 | 0.42 | -1.11 |
| 4n4v | ILE1228 | -0.43 | 0.13 | -0.3 | -0.18 | -0.48 |
