Binding information for 4ge4_ligand_1_1.mol2(FDBF00132)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ge4_ligand_1_1.mol2 | 4ge4 | 0.857143 | -7.05 | c1cc(c(c(n1)C)O)C | 9 |
Structure and binding mode of 4ge4_ligand_1_1.mol2(FDBF00132)
Important binding residues for 4ge4_ligand_1_1.mol2(FDBF00132)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ge4 | LEU121 | -0.45 | -0.02 | -0.47 | -0.04 | -0.50 |
| 4ge4 | TYR142 | -3.25 | 0.07 | -3.18 | 1.02 | -2.15 |
| 4ge4 | TYR195 | -0.29 | -1.19 | -1.48 | 1.00 | -0.48 |
| 4ge4 | VAL197 | -0.55 | -0.09 | -0.64 | 0.08 | -0.56 |
| 4ge4 | ASN202 | -0.06 | -1.32 | -1.38 | 1.04 | -0.35 |
| 4ge4 | PRO232 | -0.73 | -0.49 | -1.22 | 0.45 | -0.77 |
| 4ge4 | TYR74 | -0.32 | 0.11 | -0.21 | -0.19 | -0.40 |
