Binding information for 1gmy_ligand_4_56.mol2(FDBF00231)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1gmy_ligand_4_56.mol2 | 1gmy | 1 | -6.02 | N(C=O)[C@@H](C)C(=O)NC | 9 |
Structure and binding mode of 1gmy_ligand_4_56.mol2(FDBF00231)
Important binding residues for 1gmy_ligand_4_56.mol2(FDBF00231)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1gmy | SER28 | -0.21 | -0.19 | -0.4 | 0.09 | -0.32 |
| 1gmy | TRP30 | -1.01 | -1.99 | -3 | 1.43 | -1.56 |
| 1gmy | GLY73 | -0.73 | -2.05 | -2.78 | 0.84 | -1.94 |
| 1gmy | GLY74 | -0.09 | -5.27 | -5.36 | 2.59 | -2.77 |
| 1gmy | TYR75 | -0.43 | -0.05 | -0.48 | 0.10 | -0.38 |
| 1gmy | PRO76 | -0.39 | 0.20 | -0.19 | -0.14 | -0.33 |
| 1gmy | GLY198 | -0.73 | -3.46 | -4.19 | 2.91 | -1.28 |
| 1gmy | HIS199 | -0.89 | -0.24 | -1.13 | 0.48 | -0.65 |
| 1gmy | ALA200 | -0.60 | -0.07 | -0.67 | 0.09 | -0.59 |
