Binding information for 1a2c_ligand_4_21.mol2(FDBF06098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a2c_ligand_4_21.mol2 | 1a2c | 1 | -5.37 | C[C@@H](O)C(=O)NCC | 8 |
Structure and binding mode of 1a2c_ligand_4_21.mol2(FDBF06098)
Important binding residues for 1a2c_ligand_4_21.mol2(FDBF06098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a2c | GLU146 | -0.28 | 0.26 | -0.02 | -0.42 | -0.44 |
| 1a2c | TRP215 | -0.60 | 0.65 | 0.05 | -0.51 | -0.47 |
| 1a2c | GLY219 | 3.47 | -5.12 | -1.65 | -0.03 | -1.68 |
