Binding information for 2i0v_ligand_frag_2.mol2(FDBF00552)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i0v_ligand_frag_2.mol2 | 2i0v | 0.777778 | -5.56 | c1conc1C | 6 |
Structure and binding mode of 2i0v_ligand_frag_2.mol2(FDBF00552)
Important binding residues for 2i0v_ligand_frag_2.mol2(FDBF00552)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2i0v | LEU588 | -1.19 | -0.25 | -1.44 | 0.28 | -1.16 |
| 2i0v | TYR665 | -0.65 | -0.72 | -1.37 | 1.02 | -0.36 |
| 2i0v | GLY669 | -0.75 | -0.28 | -1.03 | 0.23 | -0.81 |
| 2i0v | LEU785 | -0.49 | -0.08 | -0.57 | 0.04 | -0.53 |
