Binding information for 3m8u_ligand_4_1890.mol2(FDBF00138)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m8u_ligand_4_1890.mol2 | 3m8u | 0.642857 | -5.62 | S(C)SCC | 5 |
Structure and binding mode of 3m8u_ligand_4_1890.mol2(FDBF00138)
Important binding residues for 3m8u_ligand_4_1890.mol2(FDBF00138)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3m8u | PHE263 | -0.37 | 0.06 | -0.31 | -0.03 | -0.34 |
| 3m8u | GLY520 | -0.75 | -0.99 | -1.74 | 1.30 | -0.45 |
| 3m8u | TYR521 | -1.68 | 0.16 | -1.52 | 0.71 | -0.81 |
