Binding information for 2nqg_ligand_frag_0.mol2(FDBF00100)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2nqg_ligand_frag_0.mol2 | 2nqg | 1 | -5.46 | CCOC=O | 5 |
Structure and binding mode of 2nqg_ligand_frag_0.mol2(FDBF00100)
Important binding residues for 2nqg_ligand_frag_0.mol2(FDBF00100)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2nqg | GLN109 | 0.17 | -3.80 | -3.63 | 2.34 | -1.29 |
| 2nqg | GLY113 | 0.28 | -1.69 | -1.41 | 0.56 | -0.85 |
