Binding information for 3mo5_ligand_3_934.mol2(FDBF00030)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3mo5_ligand_3_934.mol2 | 3mo5 | 1 | -6.10 | C([NH3+])CCC | 5 |
Structure and binding mode of 3mo5_ligand_3_934.mol2(FDBF00030)
Important binding residues for 3mo5_ligand_3_934.mol2(FDBF00030)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3mo5 | TYR1124 | -0.66 | -18.75 | -19.41 | 17.87 | -1.54 |
| 3mo5 | SER1141 | -0.21 | -7.60 | -7.81 | 5.93 | -1.88 |
| 3mo5 | PHE1144 | -0.96 | 0.57 | -0.39 | -0.35 | -0.73 |
| 3mo5 | TYR1211 | -1.85 | -3.26 | -5.11 | 3.31 | -1.80 |
