Binding information for 3bc4_ligand_2_0.mol2(FDBF00191)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bc4_ligand_2_0.mol2 | 3bc4 | 0.888889 | -5.13 | C(=O)(OCC[NH3+])C | 7 |
Structure and binding mode of 3bc4_ligand_2_0.mol2(FDBF00191)
Important binding residues for 3bc4_ligand_2_0.mol2(FDBF00191)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bc4 | ASP25 | 1.75 | -61.27 | -59.52 | 54.93 | -4.59 |
| 3bc4 | ALA28 | -0.68 | -0.33 | -1.01 | -0.04 | -1.05 |
| 3bc4 | VAL84 | -0.52 | 1.06 | 0.54 | -1.01 | -0.47 |
