Binding information for 4u7v_ligand_4_229.mol2(FDBF01149)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4u7v_ligand_4_229.mol2 | 4u7v | 1 | -5.72 | [C@H](O)(C)CNC(=O)OC | 9 |
Structure and binding mode of 4u7v_ligand_4_229.mol2(FDBF01149)
Important binding residues for 4u7v_ligand_4_229.mol2(FDBF01149)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4u7v | GLY27 | -0.33 | 0.51 | 0.18 | -1.17 | -0.99 |
| 4u7v | ALA28 | -0.71 | -0.07 | -0.78 | -0.16 | -0.94 |
| 4u7v | ILE84 | -0.77 | 0.02 | -0.75 | -0.32 | -1.07 |
| 4u7v | THR26 | -0.11 | -0.01 | -0.12 | -0.27 | -0.39 |
| 4u7v | GLY27 | -0.57 | -1.03 | -1.6 | -0.96 | -2.56 |
| 4u7v | ALA28 | -0.76 | 0.32 | -0.44 | 0.12 | -0.32 |
| 4u7v | ILE50 | -0.28 | -0.32 | -0.6 | 0.14 | -0.46 |
| 4u7v | ILE84 | -0.20 | -0.01 | -0.21 | -0.12 | -0.33 |
