Binding information for 2gqn_ligand_2_13.mol2(FDBF02591)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gqn_ligand_2_13.mol2 | 2gqn | 0.25 | -5.76 | CC(=O)NN=C | 6 |
Structure and binding mode of 2gqn_ligand_2_13.mol2(FDBF02591)
Important binding residues for 2gqn_ligand_2_13.mol2(FDBF02591)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gqn | TYR111 | -0.95 | -0.54 | -1.49 | 0.95 | -0.54 |
| 2gqn | TRP340 | -1.20 | -1.24 | -2.44 | 0.82 | -1.62 |
