Binding information for 5bvn_ligand_1_1.mol2(FDBF00119)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5bvn_ligand_1_1.mol2 | 5bvn | 1 | -5.57 | CNC(=O)N | 5 |
Structure and binding mode of 5bvn_ligand_1_1.mol2(FDBF00119)
Important binding residues for 5bvn_ligand_1_1.mol2(FDBF00119)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5bvn | MET676 | -1.16 | -0.67 | -1.83 | 0.65 | -1.18 |
| 5bvn | ILE685 | -0.58 | -0.57 | -1.15 | 0.27 | -0.89 |
| 5bvn | ALA783 | -0.43 | -2.50 | -2.93 | 0.71 | -2.23 |
| 5bvn | ASP784 | -0.71 | -2.24 | -2.95 | 1.77 | -1.18 |
