Binding information for 3fh8_ligand_frag_0.mol2(FDBF00690)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh8_ligand_frag_0.mol2 | 3fh8 | 1 | -6.02 | C1CCC[NH2+]1 | 5 |
Structure and binding mode of 3fh8_ligand_frag_0.mol2(FDBF00690)
Important binding residues for 3fh8_ligand_frag_0.mol2(FDBF00690)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fh8 | GLN136 | -0.11 | -12.55 | -12.66 | 10.23 | -2.43 |
| 3fh8 | TYR267 | -2.14 | 0.03 | -2.11 | -0.36 | -2.48 |
| 3fh8 | MET270 | -0.81 | -1.57 | -2.38 | 1.25 | -1.12 |
| 3fh8 | GLU318 | -0.08 | -35.95 | -36.03 | 35.36 | -0.67 |
| 3fh8 | TYR378 | -1.04 | -0.54 | -1.58 | 0.62 | -0.95 |
| 3fh8 | TYR383 | -0.33 | -12.11 | -12.44 | 12.10 | -0.33 |
