Binding information for 2wez_ligand_frag_8.mol2(FDBF00013)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wez_ligand_frag_8.mol2 | 2wez | 1 | -5.58 | C1=CC(=O)N=C1 | 6 |
Structure and binding mode of 2wez_ligand_frag_8.mol2(FDBF00013)
Important binding residues for 2wez_ligand_frag_8.mol2(FDBF00013)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wez | THR292 | -0.58 | -1.06 | -1.64 | 0.71 | -0.93 |
| 2wez | THR293 | -0.70 | -1.99 | -2.69 | 1.52 | -1.16 |
| 2wez | ASN294 | -0.96 | 0.05 | -0.91 | -0.24 | -1.14 |
| 2wez | ARG296 | -1.03 | 1.16 | 0.13 | -0.89 | -0.76 |
| 2wez | SER386 | -0.27 | 0.18 | -0.09 | -0.35 | -0.44 |
