Binding information for 1mzc_ligand_1_3.mol2(FDBF03203)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1mzc_ligand_1_3.mol2 | 1mzc | 0.787879 | -5.71 | c1(c(cccc1)C#N)O | 9 |
Structure and binding mode of 1mzc_ligand_1_3.mol2(FDBF03203)
Important binding residues for 1mzc_ligand_1_3.mol2(FDBF03203)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1mzc | ARG702 | -0.20 | -4.09 | -4.29 | 3.14 | -1.15 |
| 1mzc | TYR861 | -0.85 | -0.74 | -1.59 | 0.97 | -0.62 |
