Binding information for 4u5u_ligand_1_2.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u5u_ligand_1_2.mol2 | 4u5u | 0.25 | -4.82 | C[NH2+]C | 3 |
Structure and binding mode of 4u5u_ligand_1_2.mol2(FDBF00001)
Important binding residues for 4u5u_ligand_1_2.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u5u | TRP399 | -0.27 | -1.88 | -2.15 | 1.85 | -0.31 |
