Binding information for 4g4p_ligand_2_2.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4g4p_ligand_2_2.mol2 | 4g4p | 1 | -6.20 | C(=O)(N)CC | 5 |
Structure and binding mode of 4g4p_ligand_2_2.mol2(FDBF00026)
Important binding residues for 4g4p_ligand_2_2.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4g4p | ASP30 | -0.41 | -1.54 | -1.95 | 1.27 | -0.68 |
| 4g4p | PHE33 | -1.68 | -0.74 | -2.42 | 1.29 | -1.13 |
| 4g4p | PHE71 | -1.43 | -0.45 | -1.88 | 0.30 | -1.57 |
| 4g4p | ALA88 | -0.40 | -2.76 | -3.16 | 1.94 | -1.22 |
| 4g4p | LYS136 | -0.17 | -11.63 | -11.8 | 9.93 | -1.87 |
| 4g4p | THR139 | -0.72 | -0.54 | -1.26 | 0.80 | -0.46 |
