Binding information for 4g3f_ligand_frag_1.mol2(FDBF00636)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4g3f_ligand_frag_1.mol2 | 4g3f | 1 | -5.48 | c1nccs1 | 5 |
Structure and binding mode of 4g3f_ligand_frag_1.mol2(FDBF00636)
Important binding residues for 4g3f_ligand_frag_1.mol2(FDBF00636)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4g3f | GLY411 | -0.43 | 0.09 | -0.34 | -0.12 | -0.47 |
| 4g3f | VAL416 | -0.56 | -0.31 | -0.87 | 0.05 | -0.82 |
| 4g3f | MET471 | -0.37 | -0.34 | -0.71 | 0.17 | -0.54 |
| 4g3f | LEU524 | -0.51 | -0.03 | -0.54 | 0.01 | -0.53 |
