Binding information for 1rwx_ligand_4_490.mol2(FDBF03583)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1rwx_ligand_4_490.mol2 | 1rwx | 0.844444 | -6.10 | C(NC(=O)c1ccc(cc1)O)C | 12 |
Structure and binding mode of 1rwx_ligand_4_490.mol2(FDBF03583)
Important binding residues for 1rwx_ligand_4_490.mol2(FDBF03583)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1rwx | TRP340 | -1.54 | 0.61 | -0.93 | -0.01 | -0.94 |
| 1rwx | ARG341 | -1.19 | 0.49 | -0.7 | 0.13 | -0.56 |
| 1rwx | HIS342 | -1.76 | -1.04 | -2.8 | 1.02 | -1.78 |
| 1rwx | PRO343 | -0.52 | -0.17 | -0.69 | 0.16 | -0.53 |
| 1rwx | ARG383 | -1.72 | -5.27 | -6.99 | 5.65 | -1.34 |
