Binding information for 1o0d_ligand_1_1.mol2(FDBF00380)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o0d_ligand_1_1.mol2 | 1o0d | 1 | -6.19 | C1[N@H+]([C@H](CC1)C)C | 7 |
Structure and binding mode of 1o0d_ligand_1_1.mol2(FDBF00380)
Important binding residues for 1o0d_ligand_1_1.mol2(FDBF00380)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o0d | ALA190 | -0.72 | 0.01 | -0.71 | -0.10 | -0.82 |
| 1o0d | CYS191 | -1.46 | -1.08 | -2.54 | 0.16 | -2.38 |
| 1o0d | VAL213 | -0.50 | 0.22 | -0.28 | -0.21 | -0.49 |
| 1o0d | TRP215 | -1.18 | -0.90 | -2.08 | 0.73 | -1.35 |
| 1o0d | GLY216 | -0.86 | 0.01 | -0.85 | 0.04 | -0.81 |
