Binding information for 5bvk_ligand_1_2.mol2(FDBF00119)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5bvk_ligand_1_2.mol2 | 5bvk | 1 | -5.58 | CNC(=O)N | 5 |
Structure and binding mode of 5bvk_ligand_1_2.mol2(FDBF00119)
Important binding residues for 5bvk_ligand_1_2.mol2(FDBF00119)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5bvk | MET676 | -0.92 | -1.04 | -1.96 | 1.29 | -0.67 |
| 5bvk | ILE685 | -0.78 | -0.59 | -1.37 | 0.33 | -1.04 |
| 5bvk | ALA783 | -0.49 | -2.26 | -2.75 | 0.85 | -1.90 |
| 5bvk | ASP784 | -0.72 | -1.94 | -2.66 | 1.15 | -1.51 |
