Binding information for 4msu_ligand_frag_3.mol2(FDBF07573)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4msu_ligand_frag_3.mol2 | 4msu | 0.571429 | -5.55 | C(O)C(F)(F)F | 6 |
Structure and binding mode of 4msu_ligand_frag_3.mol2(FDBF07573)
Important binding residues for 4msu_ligand_frag_3.mol2(FDBF07573)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4msu | VAL28 | -0.45 | 0.03 | -0.42 | -0.10 | -0.52 |
| 4msu | LYS33 | -0.51 | -2.00 | -2.51 | 2.11 | -0.40 |
| 4msu | ARG525 | -1.14 | -5.66 | -6.8 | 4.01 | -2.79 |
