Binding information for 1ms6_ligand_5_216.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ms6_ligand_5_216.mol2 | 1ms6 | 1 | -5.54 | C(COC)NC(=O)C | 8 |
Structure and binding mode of 1ms6_ligand_5_216.mol2(FDBF01215)
Important binding residues for 1ms6_ligand_5_216.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ms6 | TRP26 | -0.73 | -1.50 | -2.23 | 1.10 | -1.13 |
| 1ms6 | GLY68 | -0.25 | -2.50 | -2.75 | 1.06 | -1.69 |
| 1ms6 | GLY69 | -0.48 | -1.54 | -2.02 | 0.68 | -1.35 |
| 1ms6 | ASN163 | -1.03 | -1.72 | -2.75 | 2.24 | -0.52 |
| 1ms6 | HIS164 | -0.97 | 0.01 | -0.96 | 0.42 | -0.54 |
