Binding information for 3b7u_ligand_1_0.mol2(FDBF07094)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b7u_ligand_1_0.mol2 | 3b7u | 0.545455 | -5.96 | CC(=O)N=O | 5 |
Structure and binding mode of 3b7u_ligand_1_0.mol2(FDBF07094)
Important binding residues for 3b7u_ligand_1_0.mol2(FDBF07094)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3b7u | GLY269 | -0.53 | -1.21 | -1.74 | 1.43 | -0.31 |
| 3b7u | MET270 | -0.54 | -0.29 | -0.83 | 0.35 | -0.48 |
| 3b7u | GLU271 | -0.41 | 1.47 | 1.06 | -1.82 | -0.76 |
| 3b7u | PHE314 | -0.09 | 1.12 | 1.03 | -1.38 | -0.36 |
| 3b7u | GLU318 | -0.67 | 9.06 | 8.39 | -17.36 | -8.97 |
