Binding information for 2yhy_ligand_frag_1.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yhy_ligand_frag_1.mol2 | 2yhy | 1 | -5.77 | NC(=O)C | 4 |
Structure and binding mode of 2yhy_ligand_frag_1.mol2(FDBF00015)
Important binding residues for 2yhy_ligand_frag_1.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yhy | GLY476 | -0.64 | -1.59 | -2.23 | 1.21 | -1.02 |
| 2yhy | ARG477 | -0.21 | -10.04 | -10.25 | 6.93 | -3.33 |
| 2yhy | SER488 | -0.77 | -1.44 | -2.21 | 0.90 | -1.32 |
| 2yhy | THR489 | -0.91 | -2.67 | -3.58 | 1.42 | -2.16 |
| 2yhy | LEU491 | -0.70 | 0.36 | -0.34 | 0.00 | -0.34 |
| 2yhy | ILE492 | -0.84 | 0.09 | -0.75 | 0.01 | -0.75 |
