Binding information for 1mem_ligand_3_164.mol2(FDBF00325)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mem_ligand_3_164.mol2 | 1mem | 1 | -5.34 | [S](O)(O)CCC | 6 |
Structure and binding mode of 1mem_ligand_3_164.mol2(FDBF00325)
Important binding residues for 1mem_ligand_3_164.mol2(FDBF00325)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mem | GLY23 | -0.77 | -0.24 | -1.01 | 0.65 | -0.37 |
| 1mem | ASN158 | -0.47 | -5.76 | -6.23 | 5.74 | -0.49 |
| 1mem | HIS159 | -0.33 | -2.50 | -2.83 | 1.68 | -1.16 |
