Binding information for 4n1u_ligand_frag_1.mol2(FDBF00259)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n1u_ligand_frag_1.mol2 | 4n1u | 1 | -6.12 | C1CC1 | 3 |
Structure and binding mode of 4n1u_ligand_frag_1.mol2(FDBF00259)
Important binding residues for 4n1u_ligand_frag_1.mol2(FDBF00259)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4n1u | PHE72 | -0.78 | -0.03 | -0.81 | 0.36 | -0.45 |
| 4n1u | TRP117 | -0.98 | -0.01 | -0.99 | 0.44 | -0.55 |
