Binding information for 3mvh_ligand_1_0.mol2(FDBF07607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3mvh_ligand_1_0.mol2 | 3mvh | 0.537313 | -7.00 | CCc1c[nH+]c2[nH]cncc12 | 11 |
Structure and binding mode of 3mvh_ligand_1_0.mol2(FDBF07607)
Important binding residues for 3mvh_ligand_1_0.mol2(FDBF07607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3mvh | LEU156 | -0.76 | -0.11 | -0.87 | 0.05 | -0.82 |
| 3mvh | VAL164 | -1.01 | -0.00 | -1.01 | -0.17 | -1.18 |
| 3mvh | ALA177 | -1.04 | -0.37 | -1.41 | 0.26 | -1.16 |
| 3mvh | MET227 | -0.84 | 0.30 | -0.54 | -0.09 | -0.63 |
| 3mvh | GLU228 | 0.61 | -5.28 | -4.67 | 3.61 | -1.06 |
| 3mvh | TYR229 | -1.18 | -1.60 | -2.78 | 0.90 | -1.88 |
| 3mvh | ALA230 | -0.83 | -1.91 | -2.74 | 0.54 | -2.20 |
| 3mvh | MET281 | -1.13 | -0.10 | -1.23 | 0.36 | -0.87 |
| 3mvh | THR291 | -1.18 | 0.36 | -0.82 | -0.08 | -0.89 |
| 3mvh | PHE438 | -0.45 | -0.34 | -0.79 | 0.30 | -0.49 |
