Binding information for 1ym4_ligand_4_61.mol2(FDBF00336)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ym4_ligand_4_61.mol2 | 1ym4 | 1 | -5.95 | C(C(=O)NCCO)C | 8 |
Structure and binding mode of 1ym4_ligand_4_61.mol2(FDBF00336)
Important binding residues for 1ym4_ligand_4_61.mol2(FDBF00336)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ym4 | GLY34 | -0.40 | -0.51 | -0.91 | -0.61 | -1.52 |
| 1ym4 | TYR71 | -1.26 | -1.03 | -2.29 | 0.90 | -1.38 |
| 1ym4 | THR72 | -1.16 | -1.62 | -2.78 | 1.23 | -1.55 |
| 1ym4 | GLY230 | -0.49 | -3.15 | -3.64 | 2.03 | -1.62 |
| 1ym4 | THR231 | -1.09 | 0.51 | -0.58 | -0.19 | -0.77 |
