Binding information for 2g00_ligand_2_11.mol2(FDBF00388)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g00_ligand_2_11.mol2 | 2g00 | 0.676471 | -6.68 | C([NH+](C)C)c1ccccc1 | 10 |
Structure and binding mode of 2g00_ligand_2_11.mol2(FDBF00388)
Important binding residues for 2g00_ligand_2_11.mol2(FDBF00388)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g00 | LYS96 | -0.90 | 10.87 | 9.97 | -11.63 | -1.66 |
| 2g00 | TYR99 | -2.02 | -0.36 | -2.38 | 0.99 | -1.40 |
| 2g00 | PHE174 | -1.77 | 1.22 | -0.55 | -0.53 | -1.07 |
| 2g00 | TRP215 | -0.97 | -0.81 | -1.78 | 0.97 | -0.80 |
