Binding information for 2viz_ligand_frag_13.mol2(FDBF05446)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2viz_ligand_frag_13.mol2 | 2viz | 0.816327 | -5.57 | N1=CC=CC1=O | 6 |
Structure and binding mode of 2viz_ligand_frag_13.mol2(FDBF05446)
Important binding residues for 2viz_ligand_frag_13.mol2(FDBF05446)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2viz | GLN134 | -0.43 | -0.01 | -0.44 | 0.13 | -0.31 |
| 2viz | THR292 | -0.69 | -1.05 | -1.74 | 0.66 | -1.08 |
| 2viz | THR293 | -0.64 | -2.08 | -2.72 | 1.40 | -1.32 |
| 2viz | ASN294 | -0.79 | 0.05 | -0.74 | -0.27 | -1.01 |
| 2viz | ARG296 | -1.19 | 1.85 | 0.66 | -1.42 | -0.76 |
| 2viz | SER386 | -0.26 | 0.22 | -0.04 | -0.45 | -0.49 |
