Binding information for 4bhi_ligand_1_2.mol2(FDBF01907)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bhi_ligand_1_2.mol2 | 4bhi | 0.571429 | -5.83 | [N+](C)(C)(C)[NH2+]C | 6 |
Structure and binding mode of 4bhi_ligand_1_2.mol2(FDBF01907)
Important binding residues for 4bhi_ligand_1_2.mol2(FDBF01907)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bhi | TYR177 | -1.90 | -3.10 | -5 | 2.19 | -2.81 |
| 4bhi | TRP181 | -1.74 | -4.55 | -6.29 | 3.22 | -3.07 |
| 4bhi | ASN191 | -0.96 | -2.87 | -3.83 | 3.42 | -0.41 |
| 4bhi | ALA193 | -0.54 | 3.83 | 3.29 | -3.86 | -0.57 |
| 4bhi | TYR194 | -0.81 | -37.35 | -38.16 | 36.08 | -2.09 |
| 4bhi | ASP204 | -0.79 | -64.74 | -65.53 | 64.13 | -1.40 |
| 4bhi | TYR205 | -0.84 | 0.78 | -0.06 | -1.19 | -1.25 |
| 4bhi | PRO212 | -0.04 | -27.10 | -27.14 | 26.81 | -0.33 |
| 4bhi | ASN342 | -0.02 | -27.16 | -27.18 | 26.87 | -0.31 |
| 4bhi | TYR366 | -0.92 | -32.45 | -33.37 | 31.25 | -2.13 |
