Binding information for 4mm9_ligand_2_31.mol2(FDBF00163)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_2_31.mol2 | 4mm9 | 0.6 | -5.44 | O[NH2+]CC | 4 |
Structure and binding mode of 4mm9_ligand_2_31.mol2(FDBF00163)
Important binding residues for 4mm9_ligand_2_31.mol2(FDBF00163)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm9 | TYR21 | -1.29 | -0.25 | -1.54 | 1.04 | -0.49 |
| 4mm9 | VAL104 | -0.23 | 0.04 | -0.19 | -0.12 | -0.32 |
| 4mm9 | GLY256 | -0.48 | 0.03 | -0.45 | 0.10 | -0.34 |
| 4mm9 | SER355 | -0.27 | -0.36 | -0.63 | 0.28 | -0.35 |
