Binding information for 2g5p_ligand_1_1.mol2(FDBF00855)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g5p_ligand_1_1.mol2 | 2g5p | 1 | -6.07 | C[C@H]1CCC[NH2+]1 | 6 |
Structure and binding mode of 2g5p_ligand_1_1.mol2(FDBF00855)
Important binding residues for 2g5p_ligand_1_1.mol2(FDBF00855)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g5p | GLU205 | -1.28 | -41.45 | -42.73 | 40.82 | -1.91 |
| 2g5p | GLU206 | -0.63 | -53.10 | -53.73 | 51.83 | -1.90 |
| 2g5p | PHE357 | -0.48 | -0.33 | -0.81 | 0.44 | -0.36 |
| 2g5p | TYR662 | -0.64 | 13.66 | 13.02 | -13.53 | -0.51 |
| 2g5p | TYR666 | -0.91 | 22.64 | 21.73 | -22.23 | -0.50 |
