Binding information for 4ngp_ligand_4_812.mol2(FDBF03398)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ngp_ligand_4_812.mol2 | 4ngp | 1 | -4.97 | COCCC(=O)N | 7 |
Structure and binding mode of 4ngp_ligand_4_812.mol2(FDBF03398)
Important binding residues for 4ngp_ligand_4_812.mol2(FDBF03398)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ngp | PHE546 | -1.88 | -0.34 | -2.22 | 0.27 | -1.95 |
| 4ngp | ALA701 | -0.81 | -0.55 | -1.36 | 0.45 | -0.91 |
