Binding information for 4nwd_ligand_1_4.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4nwd_ligand_1_4.mol2 | 4nwd | 1 | -5.75 | C(=O)(NC)C | 5 |
Structure and binding mode of 4nwd_ligand_1_4.mol2(FDBF00027)
Important binding residues for 4nwd_ligand_1_4.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4nwd | TYR63 | -0.79 | -0.76 | -1.55 | 0.15 | -1.40 |
| 4nwd | ASN174 | -0.57 | -1.15 | -1.72 | 0.74 | -0.98 |
| 4nwd | MET190 | -0.28 | -1.00 | -1.28 | 0.82 | -0.46 |
