Binding information for 4jzd_ligand_3_55.mol2(FDBF00782)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jzd_ligand_3_55.mol2 | 4jzd | 1 | -5.79 | C(=O)N[C@H](CO)C(C)(C)C | 10 |
Structure and binding mode of 4jzd_ligand_3_55.mol2(FDBF00782)
Important binding residues for 4jzd_ligand_3_55.mol2(FDBF00782)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jzd | GLN40 | -1.41 | -0.14 | -1.55 | 1.21 | -0.33 |
| 4jzd | GLN143 | -0.61 | 0.16 | -0.45 | 0.04 | -0.41 |
| 4jzd | LYS192 | -1.23 | -7.37 | -8.6 | 7.44 | -1.16 |
| 4jzd | GLY193 | -0.83 | 0.19 | -0.64 | -0.15 | -0.79 |
