Binding information for 1dzm_ligand_1_0.mol2(FDBF05564)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dzm_ligand_1_0.mol2 | 1dzm | 0.862069 | -6.70 | C(OC=O)c1ccccc1 | 10 |
Structure and binding mode of 1dzm_ligand_1_0.mol2(FDBF05564)
Important binding residues for 1dzm_ligand_1_0.mol2(FDBF05564)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dzm | PHE35 | -0.57 | 0.03 | -0.54 | 0.04 | -0.50 |
| 1dzm | VAL37 | -0.76 | 0.37 | -0.39 | -0.50 | -0.89 |
| 1dzm | MET39 | -0.68 | -0.98 | -1.66 | 0.53 | -1.13 |
| 1dzm | LEU53 | -0.61 | -0.58 | -1.19 | 0.70 | -0.48 |
| 1dzm | VAL80 | -0.64 | -0.18 | -0.82 | 0.11 | -0.71 |
| 1dzm | TYR82 | -0.70 | -0.19 | -0.89 | 0.43 | -0.46 |
| 1dzm | PHE88 | -0.87 | 0.11 | -0.76 | 0.10 | -0.67 |
| 1dzm | ILE100 | -0.77 | 0.23 | -0.54 | -0.23 | -0.76 |
| 1dzm | ASN102 | -0.89 | 0.33 | -0.56 | 0.24 | -0.33 |
