Binding information for 4mzo_ligand_frag_0.mol2(FDBF02042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mzo_ligand_frag_0.mol2 | 4mzo | 1 | -5.85 | [S](N1CCCC1)(O)O | 8 |
Structure and binding mode of 4mzo_ligand_frag_0.mol2(FDBF02042)
Important binding residues for 4mzo_ligand_frag_0.mol2(FDBF02042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mzo | CYS147 | -0.41 | -0.34 | -0.75 | 0.17 | -0.58 |
| 4mzo | TRP148 | -0.61 | 1.05 | 0.44 | -0.94 | -0.50 |
| 4mzo | TYR193 | -1.11 | 0.31 | -0.8 | -0.13 | -0.93 |
| 4mzo | MET194 | -0.60 | 0.58 | -0.02 | -0.34 | -0.36 |
| 4mzo | GLY260 | -0.38 | 1.53 | 1.15 | -1.96 | -0.81 |
| 4mzo | ASN286 | -0.79 | -1.46 | -2.25 | 0.86 | -1.39 |
| 4mzo | HIS287 | -1.34 | -1.15 | -2.49 | 1.86 | -0.63 |
| 4mzo | GLY288 | -0.61 | 0.73 | 0.12 | -0.76 | -0.65 |
