Binding information for 4b0g_ligand_frag_0.mol2(FDBF00686)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b0g_ligand_frag_0.mol2 | 4b0g | 1 | -5.94 | Cc1ccno1 | 6 |
Structure and binding mode of 4b0g_ligand_frag_0.mol2(FDBF00686)
Important binding residues for 4b0g_ligand_frag_0.mol2(FDBF00686)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b0g | GLY140 | -0.45 | -0.35 | -0.8 | 0.16 | -0.64 |
| 4b0g | LYS141 | -0.84 | -1.60 | -2.44 | 1.97 | -0.47 |
| 4b0g | ASN146 | -1.09 | -0.73 | -1.82 | 0.20 | -1.62 |
| 4b0g | VAL147 | -0.65 | -0.05 | -0.7 | -0.12 | -0.81 |
| 4b0g | VAL163 | -0.17 | -0.14 | -0.31 | -0.01 | -0.33 |
