Binding information for 3fnm_ligand_frag_1.mol2(FDBF00170)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fnm_ligand_frag_1.mol2 | 3fnm | 0.619048 | -5.33 | C1O[NH2+]CC1 | 5 |
Structure and binding mode of 3fnm_ligand_frag_1.mol2(FDBF00170)
Important binding residues for 3fnm_ligand_frag_1.mol2(FDBF00170)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fnm | THR398 | -0.78 | 0.42 | -0.36 | -0.15 | -0.51 |
| 3fnm | MET453 | -0.88 | -0.17 | -1.05 | 0.04 | -1.01 |
| 3fnm | PHE567 | -0.19 | -0.19 | -0.38 | 0.05 | -0.33 |
