Binding information for 3fh5_ligand_frag_5.mol2(FDBF00690)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh5_ligand_frag_5.mol2 | 3fh5 | 1 | -6.11 | C1CCC[NH2+]1 | 5 |
Structure and binding mode of 3fh5_ligand_frag_5.mol2(FDBF00690)
Important binding residues for 3fh5_ligand_frag_5.mol2(FDBF00690)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fh5 | GLN134 | 0.41 | 9.28 | 9.69 | -11.70 | -2.01 |
| 3fh5 | GLN136 | -0.51 | -12.03 | -12.54 | 9.81 | -2.74 |
| 3fh5 | TYR267 | -1.87 | -1.17 | -3.04 | 0.70 | -2.34 |
| 3fh5 | GLY269 | -0.46 | -3.58 | -4.04 | 3.69 | -0.36 |
| 3fh5 | MET270 | -0.85 | -2.02 | -2.87 | 1.43 | -1.43 |
| 3fh5 | GLU318 | -0.09 | -35.98 | -36.07 | 35.37 | -0.70 |
| 3fh5 | TYR383 | -0.38 | -11.94 | -12.32 | 12.01 | -0.31 |
