Binding information for 3a73_ligand_4_327.mol2(FDBF01157)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3a73_ligand_4_327.mol2 | 3a73 | 1 | -6.53 | CC[C@H](CCC)O | 7 |
Structure and binding mode of 3a73_ligand_4_327.mol2(FDBF01157)
Important binding residues for 3a73_ligand_4_327.mol2(FDBF01157)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3a73 | LEU135 | -1.31 | -0.63 | -1.94 | 0.82 | -1.12 |
| 3a73 | LEU139 | -0.70 | -0.38 | -1.08 | 0.15 | -0.93 |
| 3a73 | LEU154 | -0.48 | -0.06 | -0.54 | 0.21 | -0.33 |
| 3a73 | PHE157 | -0.38 | 0.03 | -0.35 | -0.06 | -0.41 |
| 3a73 | TYR161 | -1.47 | 0.02 | -1.45 | 0.59 | -0.86 |
