Binding information for 2oc2_ligand_3_156.mol2(FDBF05635)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oc2_ligand_3_156.mol2 | 2oc2 | 0.533333 | -5.69 | C(C)NC(=O)OC | 7 |
Structure and binding mode of 2oc2_ligand_3_156.mol2(FDBF05635)
Important binding residues for 2oc2_ligand_3_156.mol2(FDBF05635)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2oc2 | SER355 | -0.62 | -2.82 | -3.44 | 0.98 | -2.45 |
| 2oc2 | ALA356 | -0.01 | -2.26 | -2.27 | 1.32 | -0.95 |
| 2oc2 | HIS387 | -1.18 | -0.85 | -2.03 | 0.87 | -1.16 |
| 2oc2 | GLU411 | -0.32 | -1.08 | -1.4 | 0.05 | -1.34 |
| 2oc2 | TYR523 | -0.44 | -0.14 | -0.58 | 0.22 | -0.36 |
