Binding information for 4fod_ligand_frag_5.mol2(FDBF04078)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fod_ligand_frag_5.mol2 | 4fod | 1 | -5.83 | [NH2+]1CCC(CC1)C(O)(C)C | 10 |
Structure and binding mode of 4fod_ligand_frag_5.mol2(FDBF04078)
Important binding residues for 4fod_ligand_frag_5.mol2(FDBF04078)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fod | GLY1202 | -0.49 | 1.37 | 0.88 | -1.44 | -0.56 |
| 4fod | PHE1207 | -1.06 | 0.45 | -0.61 | -0.21 | -0.82 |
