Binding information for 3c1n_ligand_frag_1.mol2(FDBF00041)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3c1n_ligand_frag_1.mol2 | 3c1n | 1 | -5.63 | C(O)C | 3 |
Structure and binding mode of 3c1n_ligand_frag_1.mol2(FDBF00041)
Important binding residues for 3c1n_ligand_frag_1.mol2(FDBF00041)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3c1n | ARG415 | -0.20 | 0.80 | 0.6 | -1.01 | -0.40 |
| 3c1n | GLY416 | -0.15 | 0.22 | 0.07 | -0.44 | -0.38 |
| 3c1n | ILE420 | -0.33 | 0.06 | -0.27 | -0.12 | -0.39 |
| 3c1n | ALA421 | -0.38 | -0.34 | -0.72 | 0.33 | -0.38 |
