Binding information for 2zaz_ligand_1_1.mol2(FDBF00570)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zaz_ligand_1_1.mol2 | 2zaz | 1 | -6.67 | c1cc2c(cc1)c(ccn2)N | 11 |
Structure and binding mode of 2zaz_ligand_1_1.mol2(FDBF00570)
Important binding residues for 2zaz_ligand_1_1.mol2(FDBF00570)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zaz | VAL30 | -0.63 | -0.04 | -0.67 | 0.05 | -0.63 |
| 2zaz | VAL38 | -0.91 | -0.15 | -1.06 | -0.02 | -1.08 |
| 2zaz | VAL50 | -0.09 | -0.06 | -0.15 | -0.17 | -0.32 |
| 2zaz | ALA51 | -1.15 | -0.36 | -1.51 | 0.26 | -1.24 |
| 2zaz | LEU108 | -1.25 | -1.55 | -2.8 | 0.62 | -2.17 |
| 2zaz | MET109 | 0.27 | -3.15 | -2.88 | 1.92 | -0.96 |
| 2zaz | LEU167 | -0.44 | 0.08 | -0.36 | -0.14 | -0.49 |
