Binding information for 5abg_ligand_frag_5.mol2(FDBF00024)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5abg_ligand_frag_5.mol2 | 5abg | 1 | -5.53 | C(=O)NC | 4 |
Structure and binding mode of 5abg_ligand_frag_5.mol2(FDBF00024)
Important binding residues for 5abg_ligand_frag_5.mol2(FDBF00024)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5abg | TYR282 | -1.52 | 0.36 | -1.16 | 0.13 | -1.03 |
| 5abg | THR310 | -0.43 | -0.03 | -0.46 | 0.03 | -0.43 |
| 5abg | TRP337 | -1.55 | -1.10 | -2.65 | 1.37 | -1.29 |
| 5abg | ASN339 | -0.00 | -3.74 | -3.74 | 1.02 | -2.73 |
