Binding information for 5abh_ligand_frag_6.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5abh_ligand_frag_6.mol2 | 5abh | 1 | -5.59 | C(=O)NC | 4 |
Structure and binding mode of 5abh_ligand_frag_6.mol2(FDBF00024)
Important binding residues for 5abh_ligand_frag_6.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5abh | ASP242 | -0.22 | -8.45 | -8.67 | 8.03 | -0.64 |
| 5abh | TYR282 | -1.53 | 0.69 | -0.84 | -0.14 | -0.99 |
| 5abh | THR310 | -0.46 | 0.03 | -0.43 | -0.00 | -0.43 |
| 5abh | VAL314 | -0.27 | 0.42 | 0.15 | -0.49 | -0.34 |
| 5abh | TRP337 | -1.53 | -0.92 | -2.45 | 1.29 | -1.16 |
| 5abh | ASN339 | -0.18 | -3.95 | -4.13 | 1.39 | -2.74 |
