Binding information for 4lar_ligand_1_0.mol2(FDBF00241)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lar_ligand_1_0.mol2 | 4lar | 1 | -6.06 | CC([NH3+])C | 4 |
Structure and binding mode of 4lar_ligand_1_0.mol2(FDBF00241)
Important binding residues for 4lar_ligand_1_0.mol2(FDBF00241)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lar | TYR47 | -0.45 | -14.28 | -14.73 | 14.15 | -0.58 |
| 4lar | PHE95 | -1.10 | -1.32 | -2.42 | 0.67 | -1.75 |
| 4lar | GLU101 | -0.72 | -43.58 | -44.3 | 42.57 | -1.73 |
| 4lar | TYR34 | -0.36 | -20.18 | -20.54 | 19.73 | -0.81 |
| 4lar | TYR36 | -0.29 | -14.36 | -14.65 | 13.88 | -0.76 |
| 4lar | TRP91 | -1.37 | -2.35 | -3.72 | 1.54 | -2.18 |
