Binding information for 4oth_ligand_frag_0.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4oth_ligand_frag_0.mol2 | 4oth | 1 | -5.13 | C(=N)N | 3 |
Structure and binding mode of 4oth_ligand_frag_0.mol2(FDBF00001)
Important binding residues for 4oth_ligand_frag_0.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4oth | ASP750 | 0.25 | -4.87 | -4.62 | 4.25 | -0.37 |
