Binding information for 4op2_ligand_frag_3.mol2(FDBF07242)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4op2_ligand_frag_3.mol2 | 4op2 | 0.821429 | -6.85 | c1ccc(cc1)[C@@H](O)C | 9 |
Structure and binding mode of 4op2_ligand_frag_3.mol2(FDBF07242)
Important binding residues for 4op2_ligand_frag_3.mol2(FDBF07242)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4op2 | VAL28 | -1.22 | -0.08 | -1.3 | -0.26 | -1.56 |
| 4op2 | ARG518 | -0.68 | 1.03 | 0.35 | -1.06 | -0.71 |
| 4op2 | ALA521 | -0.93 | -0.46 | -1.39 | -0.03 | -1.42 |
| 4op2 | MET522 | -0.47 | 0.03 | -0.44 | 0.11 | -0.33 |
| 4op2 | ARG525 | -1.05 | -6.19 | -7.24 | 3.38 | -3.86 |
