Binding information for 1yc5_ligand_frag_1.mol2(FDBF00003)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1yc5_ligand_frag_1.mol2 | 1yc5 | 1 | -5.39 | C(=O)N | 3 |
Structure and binding mode of 1yc5_ligand_frag_1.mol2(FDBF00003)
Important binding residues for 1yc5_ligand_frag_1.mol2(FDBF00003)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1yc5 | ILE30 | -0.49 | -0.28 | -0.77 | 0.30 | -0.47 |
| 1yc5 | ASN99 | -0.81 | -2.73 | -3.54 | 1.02 | -2.52 |
| 1yc5 | ILE100 | 0.39 | -3.40 | -3.01 | 1.02 | -1.98 |
| 1yc5 | ASP101 | -0.66 | -2.99 | -3.65 | 2.43 | -1.22 |
