Binding information for 2nqi_ligand_frag_0.mol2(FDBF00628)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2nqi_ligand_frag_0.mol2 | 2nqi | 0.9 | -5.46 | CCOC=O | 5 |
Structure and binding mode of 2nqi_ligand_frag_0.mol2(FDBF00628)
Important binding residues for 2nqi_ligand_frag_0.mol2(FDBF00628)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2nqi | GLN109 | 1.15 | -4.32 | -3.17 | 2.17 | -1.00 |
| 2nqi | GLY113 | -0.18 | -1.65 | -1.83 | 0.60 | -1.22 |
