Binding information for 4nwc_ligand_frag_4.mol2(FDBF00101)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nwc_ligand_frag_4.mol2 | 4nwc | 1 | -5.61 | CC(=O)OC | 5 |
Structure and binding mode of 4nwc_ligand_frag_4.mol2(FDBF00101)
Important binding residues for 4nwc_ligand_frag_4.mol2(FDBF00101)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nwc | TYR491 | -0.85 | 0.65 | -0.2 | -0.22 | -0.43 |
| 4nwc | MET738 | -0.25 | -0.62 | -0.87 | 0.45 | -0.43 |
