Binding information for 1o0d_ligand_frag_0.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o0d_ligand_frag_0.mol2 | 1o0d | 1 | -5.32 | NC=N | 3 |
Structure and binding mode of 1o0d_ligand_frag_0.mol2(FDBF00001)
Important binding residues for 1o0d_ligand_frag_0.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o0d | ASP189 | -0.24 | -10.48 | -10.72 | 9.53 | -1.19 |
| 1o0d | ALA190 | 0.50 | -2.78 | -2.28 | 1.40 | -0.88 |
| 1o0d | CYS191 | -0.50 | -0.01 | -0.51 | -0.03 | -0.53 |
| 1o0d | TRP215 | -0.34 | -0.23 | -0.57 | 0.19 | -0.38 |
| 1o0d | CYS220 | -0.45 | 0.84 | 0.39 | -0.72 | -0.33 |
