Binding information for 3hng_ligand_2_7.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hng_ligand_2_7.mol2 | 3hng | 1 | -6.82 | c1c(cccc1)NC | 8 |
Structure and binding mode of 3hng_ligand_2_7.mol2(FDBF00049)
Important binding residues for 3hng_ligand_2_7.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hng | VAL841 | -1.01 | -0.03 | -1.04 | -0.09 | -1.13 |
| 3hng | ALA859 | -0.68 | 0.14 | -0.54 | 0.02 | -0.53 |
| 3hng | VAL860 | -0.48 | 0.12 | -0.36 | 0.00 | -0.36 |
| 3hng | LYS861 | -1.55 | -3.02 | -4.57 | 1.53 | -3.04 |
| 3hng | VAL892 | -0.45 | -0.10 | -0.55 | -0.11 | -0.67 |
| 3hng | VAL907 | -0.80 | -0.13 | -0.93 | 0.02 | -0.91 |
| 3hng | ILE908 | -0.24 | -0.11 | -0.35 | -0.08 | -0.43 |
| 3hng | VAL909 | -1.23 | -0.21 | -1.44 | -0.21 | -1.65 |
| 3hng | PHE1041 | -1.12 | -0.18 | -1.3 | 0.17 | -1.13 |
