Binding information for 4mzs_ligand_frag_0.mol2(FDBF02042)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mzs_ligand_frag_0.mol2 | 4mzs | 1 | -5.76 | [S](N1CCCC1)(O)O | 8 |
Structure and binding mode of 4mzs_ligand_frag_0.mol2(FDBF02042)
Important binding residues for 4mzs_ligand_frag_0.mol2(FDBF02042)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mzs | CYS147 | -0.37 | -0.42 | -0.79 | 0.30 | -0.49 |
| 4mzs | TRP148 | -0.57 | 0.98 | 0.41 | -0.88 | -0.47 |
| 4mzs | TYR193 | -1.27 | -0.61 | -1.88 | 0.95 | -0.92 |
| 4mzs | GLY260 | -0.40 | 1.97 | 1.57 | -2.17 | -0.60 |
| 4mzs | VAL285 | -0.97 | -1.09 | -2.06 | 1.47 | -0.58 |
| 4mzs | ASN286 | -1.17 | -1.03 | -2.2 | 0.38 | -1.82 |
| 4mzs | HIS287 | -1.26 | -0.86 | -2.12 | 1.28 | -0.84 |
| 4mzs | GLY288 | -0.57 | 0.95 | 0.38 | -0.81 | -0.43 |
