Binding information for 1a7c_ligand_2_25.mol2(FDBF00027)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_2_25.mol2 | 1a7c | 1 | -5.77 | CC(=O)NC | 5 |
Structure and binding mode of 1a7c_ligand_2_25.mol2(FDBF00027)
Important binding residues for 1a7c_ligand_2_25.mol2(FDBF00027)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7c | PHE171 | -0.93 | 0.20 | -0.73 | 0.41 | -0.31 |
| 1a7c | ASN172 | -0.81 | -0.94 | -1.75 | 0.13 | -1.63 |
| 1a7c | GLY173 | -0.13 | -1.93 | -2.06 | 0.63 | -1.43 |
| 1a7c | GLU327 | -0.81 | -4.87 | -5.68 | 4.97 | -0.71 |
| 1a7c | VAL328 | -0.43 | 0.06 | -0.37 | 0.04 | -0.33 |
