Binding information for 4ge9_ligand_1_0.mol2(FDBF00132)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ge9_ligand_1_0.mol2 | 4ge9 | 0.857143 | -6.97 | Cc1ccnc(c1O)C | 9 |
Structure and binding mode of 4ge9_ligand_1_0.mol2(FDBF00132)
Important binding residues for 4ge9_ligand_1_0.mol2(FDBF00132)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ge9 | LEU121 | -0.42 | -0.01 | -0.43 | -0.02 | -0.44 |
| 4ge9 | TYR142 | -3.10 | 0.18 | -2.92 | 0.74 | -2.17 |
| 4ge9 | TYR195 | -0.33 | -1.23 | -1.56 | 1.04 | -0.52 |
| 4ge9 | VAL197 | -0.58 | -0.06 | -0.64 | 0.08 | -0.56 |
| 4ge9 | ASN202 | -0.57 | -0.82 | -1.39 | 0.81 | -0.58 |
| 4ge9 | PRO232 | -0.72 | -0.40 | -1.12 | 0.41 | -0.70 |
