Binding information for 3as2_ligand_frag_5.mol2(FDBF00098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3as2_ligand_frag_5.mol2 | 3as2 | 1 | -5.56 | C(=O)C | 3 |
Structure and binding mode of 3as2_ligand_frag_5.mol2(FDBF00098)
Important binding residues for 3as2_ligand_frag_5.mol2(FDBF00098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3as2 | GLY367 | -0.61 | -0.67 | -1.28 | 0.48 | -0.80 |
| 3as2 | LYS370 | -0.30 | -7.66 | -7.96 | 6.29 | -1.68 |
| 3as2 | TYR435 | -1.24 | -0.22 | -1.46 | 0.40 | -1.05 |
