Binding information for 1ym4_ligand_6_2156.mol2(FDBF00351)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ym4_ligand_6_2156.mol2 | 1ym4 | 1 | -6.47 | N(C(=O)C)[C@H](C(=O)NCC)C | 11 |
Structure and binding mode of 1ym4_ligand_6_2156.mol2(FDBF00351)
Important binding residues for 1ym4_ligand_6_2156.mol2(FDBF00351)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ym4 | TYR71 | -1.13 | -1.06 | -2.19 | 0.86 | -1.33 |
| 1ym4 | THR72 | -1.10 | -2.37 | -3.47 | 2.02 | -1.44 |
| 1ym4 | GLN73 | -1.54 | -2.30 | -3.84 | 3.32 | -0.51 |
| 1ym4 | GLY230 | -0.85 | -3.20 | -4.05 | 2.38 | -1.67 |
| 1ym4 | THR231 | -1.61 | -2.07 | -3.68 | 1.00 | -2.67 |
| 1ym4 | THR232 | -0.82 | -2.03 | -2.85 | 1.76 | -1.09 |
