Binding information for 3b7u_ligand_frag_0.mol2(FDBF07096)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3b7u_ligand_frag_0.mol2 | 3b7u | 0.428571 | -5.61 | O=CN=O | 4 |
Structure and binding mode of 3b7u_ligand_frag_0.mol2(FDBF07096)
Important binding residues for 3b7u_ligand_frag_0.mol2(FDBF07096)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3b7u | GLY269 | -0.38 | -1.24 | -1.62 | 1.12 | -0.50 |
| 3b7u | MET270 | -0.44 | -0.26 | -0.7 | 0.28 | -0.42 |
| 3b7u | GLU271 | -0.37 | 0.97 | 0.6 | -1.19 | -0.58 |
| 3b7u | PHE314 | -0.08 | 0.95 | 0.87 | -1.21 | -0.34 |
| 3b7u | GLU318 | -0.63 | 7.84 | 7.21 | -15.87 | -8.66 |
