Binding information for 3bc4_ligand_1_0.mol2(FDBF00191)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bc4_ligand_1_0.mol2 | 3bc4 | 0.722222 | -4.84 | C(=O)OCC[NH3+] | 6 |
Structure and binding mode of 3bc4_ligand_1_0.mol2(FDBF00191)
Important binding residues for 3bc4_ligand_1_0.mol2(FDBF00191)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bc4 | ASP25 | 1.86 | -61.62 | -59.76 | 55.09 | -4.68 |
| 3bc4 | ALA28 | -0.61 | -0.31 | -0.92 | -0.08 | -1.00 |
