Binding information for 2oc7_ligand_1_3.mol2(FDBF07649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oc7_ligand_1_3.mol2 | 2oc7 | 0.626866 | -6.14 | CC(=O)N1C[C@H]2[C@@H](C1)C(O2)(C)C | 12 |
Structure and binding mode of 2oc7_ligand_1_3.mol2(FDBF07649)
Important binding residues for 2oc7_ligand_1_3.mol2(FDBF07649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2oc7 | ALA156 | -1.08 | -2.27 | -3.35 | 0.94 | -2.41 |
| 2oc7 | ALA157 | -0.22 | -2.39 | -2.61 | 1.18 | -1.43 |
