Binding information for 1ms6_ligand_4_195.mol2(FDBF06535)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ms6_ligand_4_195.mol2 | 1ms6 | 0.863636 | -5.28 | C(COC)NC=O | 7 |
Structure and binding mode of 1ms6_ligand_4_195.mol2(FDBF06535)
Important binding residues for 1ms6_ligand_4_195.mol2(FDBF06535)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ms6 | TRP26 | -0.63 | -1.39 | -2.02 | 1.00 | -1.02 |
| 1ms6 | GLY68 | -0.19 | -2.43 | -2.62 | 0.95 | -1.67 |
| 1ms6 | GLY69 | -0.26 | -1.42 | -1.68 | 0.39 | -1.29 |
| 1ms6 | ASN163 | -0.75 | -1.93 | -2.68 | 2.24 | -0.44 |
| 1ms6 | HIS164 | -0.82 | 0.04 | -0.78 | 0.38 | -0.39 |
