Binding information for 5abh_ligand_1_6.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5abh_ligand_1_6.mol2 | 5abh | 1 | -5.95 | CC(=O)NC | 5 |
Structure and binding mode of 5abh_ligand_1_6.mol2(FDBF00027)
Important binding residues for 5abh_ligand_1_6.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5abh | ASP242 | -0.56 | -8.41 | -8.97 | 8.13 | -0.83 |
| 5abh | TYR282 | -1.88 | 0.80 | -1.08 | -0.14 | -1.22 |
| 5abh | THR310 | -0.48 | 0.03 | -0.45 | -0.02 | -0.46 |
| 5abh | VAL314 | -0.31 | 0.45 | 0.14 | -0.52 | -0.38 |
| 5abh | TRP337 | -1.64 | -1.04 | -2.68 | 1.41 | -1.27 |
| 5abh | ASN339 | -0.23 | -4.06 | -4.29 | 1.45 | -2.83 |
