Binding information for 4ngp_ligand_3_409.mol2(FDBF00886)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ngp_ligand_3_409.mol2 | 4ngp | 0.777778 | -6.09 | C(=O)(N)c1c(cccc1)OC | 11 |
Structure and binding mode of 4ngp_ligand_3_409.mol2(FDBF00886)
Important binding residues for 4ngp_ligand_3_409.mol2(FDBF00886)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ngp | ARG463 | -1.54 | 0.94 | -0.6 | -0.69 | -1.30 |
| 4ngp | TRP541 | -0.78 | -0.18 | -0.96 | 0.56 | -0.40 |
| 4ngp | PHE546 | -1.93 | -0.29 | -2.22 | 0.18 | -2.03 |
| 4ngp | TYR700 | -0.85 | -0.73 | -1.58 | 0.69 | -0.89 |
