Binding information for 1dmt_ligand_2_26.mol2(FDBF00198)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dmt_ligand_2_26.mol2 | 1dmt | 1 | -6.44 | C(C(C)C)C | 5 |
Structure and binding mode of 1dmt_ligand_2_26.mol2(FDBF00198)
Important binding residues for 1dmt_ligand_2_26.mol2(FDBF00198)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dmt | ALA543 | -0.94 | 0.00 | -0.94 | 0.25 | -0.68 |
| 1dmt | VAL580 | -0.96 | -0.01 | -0.97 | -0.02 | -0.98 |
| 1dmt | GLU646 | -0.12 | 0.09 | -0.03 | -1.43 | -1.46 |
