Binding information for 2yhw_ligand_frag_1.mol2(FDBF00015)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yhw_ligand_frag_1.mol2 | 2yhw | 1 | -5.77 | NC(=O)C | 4 |
Structure and binding mode of 2yhw_ligand_frag_1.mol2(FDBF00015)
Important binding residues for 2yhw_ligand_frag_1.mol2(FDBF00015)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yhw | GLY476 | -0.62 | -1.58 | -2.2 | 1.22 | -0.99 |
| 2yhw | ARG477 | -0.02 | -10.55 | -10.57 | 7.03 | -3.54 |
| 2yhw | SER488 | -0.79 | -1.35 | -2.14 | 0.90 | -1.24 |
| 2yhw | THR489 | -0.94 | -2.65 | -3.59 | 1.48 | -2.11 |
| 2yhw | LEU491 | -0.72 | 0.36 | -0.36 | 0.00 | -0.36 |
| 2yhw | ILE492 | -0.84 | 0.08 | -0.76 | 0.02 | -0.74 |
