Binding information for 3m8u_ligand_4_2076.mol2(FDBF00138)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3m8u_ligand_4_2076.mol2 | 3m8u | 0.642857 | -5.62 | S(SC)CC | 5 |
Structure and binding mode of 3m8u_ligand_4_2076.mol2(FDBF00138)
Important binding residues for 3m8u_ligand_4_2076.mol2(FDBF00138)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3m8u | GLY520 | -0.68 | -0.95 | -1.63 | 1.23 | -0.40 |
| 3m8u | TYR521 | -1.75 | 0.20 | -1.55 | 0.73 | -0.83 |
