Binding information for 4bhi_ligand_2_2.mol2(FDBF01907)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bhi_ligand_2_2.mol2 | 4bhi | 0.571429 | -5.97 | [N+](C)(C)(C)[NH+](C)C | 7 |
Structure and binding mode of 4bhi_ligand_2_2.mol2(FDBF01907)
Important binding residues for 4bhi_ligand_2_2.mol2(FDBF01907)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4bhi | TYR177 | -1.82 | -3.40 | -5.22 | 2.23 | -2.99 |
| 4bhi | TRP181 | -1.78 | -4.14 | -5.92 | 3.19 | -2.73 |
| 4bhi | ASN191 | -1.11 | -3.73 | -4.84 | 3.82 | -1.03 |
| 4bhi | ALA193 | -0.61 | 4.00 | 3.39 | -4.02 | -0.63 |
| 4bhi | TYR194 | -0.72 | -37.69 | -38.41 | 36.52 | -1.89 |
| 4bhi | TYR205 | -0.99 | 1.24 | 0.25 | -1.31 | -1.07 |
| 4bhi | PRO212 | -0.05 | -26.88 | -26.93 | 26.61 | -0.32 |
| 4bhi | ASN342 | -0.02 | -27.23 | -27.25 | 26.94 | -0.31 |
| 4bhi | TYR366 | -1.04 | -30.78 | -31.82 | 30.61 | -1.21 |
