Binding information for 1gmy_ligand_1_0.mol2(FDBF04706)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gmy_ligand_1_0.mol2 | 1gmy | 1 | -5.08 | C(=N)C | 3 |
Structure and binding mode of 1gmy_ligand_1_0.mol2(FDBF04706)
Important binding residues for 1gmy_ligand_1_0.mol2(FDBF04706)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gmy | GLN23 | 0.63 | -4.20 | -3.57 | 1.86 | -1.71 |
| 1gmy | GLY27 | -0.24 | -1.39 | -1.63 | 0.91 | -0.72 |
| 1gmy | SER28 | -0.48 | -0.02 | -0.5 | 0.02 | -0.48 |
