Binding information for 4g3g_ligand_frag_1.mol2(FDBF00636)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4g3g_ligand_frag_1.mol2 | 4g3g | 1 | -5.48 | c1nccs1 | 5 |
Structure and binding mode of 4g3g_ligand_frag_1.mol2(FDBF00636)
Important binding residues for 4g3g_ligand_frag_1.mol2(FDBF00636)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4g3g | GLY411 | -0.38 | 0.11 | -0.27 | -0.06 | -0.33 |
| 4g3g | VAL416 | -0.53 | -0.29 | -0.82 | 0.02 | -0.80 |
| 4g3g | MET471 | -0.42 | -0.38 | -0.8 | 0.17 | -0.62 |
| 4g3g | LEU524 | -0.40 | -0.01 | -0.41 | -0.01 | -0.42 |
