Binding information for 4z7h_ligand_2_6.mol2(FDBF00886)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4z7h_ligand_2_6.mol2 | 4z7h | 0.777778 | -6.81 | C(=O)(N)c1c(cccc1)OC | 11 |
Structure and binding mode of 4z7h_ligand_2_6.mol2(FDBF00886)
Important binding residues for 4z7h_ligand_2_6.mol2(FDBF00886)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4z7h | VAL586 | -1.09 | -0.20 | -1.29 | -0.05 | -1.33 |
| 4z7h | ALA597 | -0.33 | 0.10 | -0.23 | -0.12 | -0.35 |
| 4z7h | LYS599 | -1.01 | -6.74 | -7.75 | 6.63 | -1.11 |
| 4z7h | LEU695 | -1.26 | 0.09 | -1.17 | -0.15 | -1.33 |
| 4z7h | SER710 | -1.30 | 1.21 | -0.09 | -0.71 | -0.80 |
| 4z7h | ASP711 | -1.22 | -2.78 | -4 | 2.84 | -1.15 |
