Binding information for 4zec_ligand_1_0.mol2(FDBF00994)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zec_ligand_1_0.mol2 | 4zec | 0.916667 | -5.45 | O[C@H]1OC[C@H](C1)O | 7 |
Structure and binding mode of 4zec_ligand_1_0.mol2(FDBF00994)
Important binding residues for 4zec_ligand_1_0.mol2(FDBF00994)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zec | PHE407 | -1.83 | -0.53 | -2.36 | 0.65 | -1.71 |
| 4zec | ARG416 | -0.61 | -1.06 | -1.67 | 0.77 | -0.91 |
| 4zec | ARG444 | -0.73 | 0.42 | -0.31 | 0.00 | -0.31 |
