Binding information for 1a7c_ligand_frag_0.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7c_ligand_frag_0.mol2 | 1a7c | 1 | -5.74 | NC(=O)C | 4 |
Structure and binding mode of 1a7c_ligand_frag_0.mol2(FDBF00015)
Important binding residues for 1a7c_ligand_frag_0.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7c | GLY173 | -0.40 | -2.65 | -3.05 | 2.07 | -0.98 |
| 1a7c | GLN174 | -0.57 | -0.46 | -1.03 | 0.55 | -0.49 |
| 1a7c | TRP175 | -1.41 | -0.93 | -2.34 | 0.91 | -1.43 |
| 1a7c | VAL328 | -0.60 | -2.15 | -2.75 | 0.72 | -2.03 |
| 1a7c | ASN329 | -1.12 | -0.43 | -1.55 | 0.34 | -1.21 |
