Binding information for 1w6h_ligand_5_5574.mol2(FDBF02782)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w6h_ligand_5_5574.mol2 | 1w6h | 1 | -6.46 | C[C@@H]([C@H](C)O)NC(=O)C | 9 |
Structure and binding mode of 1w6h_ligand_5_5574.mol2(FDBF02782)
Important binding residues for 1w6h_ligand_5_5574.mol2(FDBF02782)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w6h | GLY36 | -0.79 | -0.45 | -1.24 | -0.66 | -1.90 |
| 1w6h | TYR77 | -1.55 | -0.68 | -2.23 | 0.91 | -1.31 |
| 1w6h | VAL78 | -1.23 | -1.30 | -2.53 | 0.78 | -1.75 |
| 1w6h | SER79 | -0.83 | -0.74 | -1.57 | 1.14 | -0.44 |
| 1w6h | SER215 | -0.08 | -0.06 | -0.14 | -0.19 | -0.33 |
| 1w6h | GLY216 | -0.91 | -0.15 | -1.06 | -0.09 | -1.15 |
| 1w6h | THR217 | -1.38 | -0.53 | -1.91 | 1.09 | -0.83 |
