Binding information for 1m0q_ligand_frag_2.mol2(FDBF00134)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m0q_ligand_frag_2.mol2 | 1m0q | 1 | -6.48 | n1c(c(ccc1)O)C | 8 |
Structure and binding mode of 1m0q_ligand_frag_2.mol2(FDBF00134)
Important binding residues for 1m0q_ligand_frag_2.mol2(FDBF00134)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m0q | ALA112 | -0.29 | 0.11 | -0.18 | -0.21 | -0.39 |
| 1m0q | ASN115 | -0.39 | -0.43 | -0.82 | -0.55 | -1.37 |
| 1m0q | TRP138 | -1.68 | -0.24 | -1.92 | 1.59 | -0.33 |
| 1m0q | HIS139 | -1.31 | -0.30 | -1.61 | 0.97 | -0.64 |
| 1m0q | ALA245 | -0.84 | -0.43 | -1.27 | 0.13 | -1.14 |
| 1m0q | GLN246 | 0.29 | -2.05 | -1.76 | 1.10 | -0.66 |
