Binding information for 4ngp_ligand_4_2056.mol2(FDBF07586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ngp_ligand_4_2056.mol2 | 4ngp | 0.924528 | -6.20 | CNC(=O)c1c(cccc1)OC | 12 |
Structure and binding mode of 4ngp_ligand_4_2056.mol2(FDBF07586)
Important binding residues for 4ngp_ligand_4_2056.mol2(FDBF07586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ngp | ARG463 | -1.56 | 1.05 | -0.51 | -0.80 | -1.31 |
| 4ngp | TRP541 | -0.78 | -0.16 | -0.94 | 0.55 | -0.40 |
| 4ngp | PHE546 | -1.98 | -0.28 | -2.26 | 0.19 | -2.07 |
| 4ngp | GLY548 | -0.49 | 0.79 | 0.3 | -0.60 | -0.31 |
| 4ngp | TYR700 | -1.29 | -0.83 | -2.12 | 0.83 | -1.30 |
