Binding information for 1dmt_ligand_1_5.mol2(FDBF00007)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dmt_ligand_1_5.mol2 | 1dmt | 1 | -6.33 | CC(C)C | 4 |
Structure and binding mode of 1dmt_ligand_1_5.mol2(FDBF00007)
Important binding residues for 1dmt_ligand_1_5.mol2(FDBF00007)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dmt | ALA543 | -0.76 | 0.00 | -0.76 | 0.13 | -0.63 |
| 1dmt | VAL580 | -0.92 | -0.01 | -0.93 | -0.02 | -0.95 |
| 1dmt | HIS583 | -0.89 | 0.00 | -0.89 | 0.48 | -0.40 |
| 1dmt | GLU646 | -0.05 | -0.19 | -0.24 | -0.19 | -0.44 |
