PPIRE17418
Target Protein Information
| Protein_Name | Alpha-amylase |
|---|---|
| Protein_Sequence | MFAKRFKTSLLPLFAGFLLLFHLVLAGPAAASAETANKSNELTAPSIKSGTILHAWNWSFNTLKHNMKDIHDAGYTAIQTSPINQVKEGNQGDKSMSNWYWLYQPTSYQIGNRYLGTEQEFKEMCAAAEEYGIKVIVDAVINHTTSDYAAISNEVKSIPNWTHGNTQIKNWSDRWDVTQNSLLGLYDWNTQNTQVQSYLKRFLDRALNDGADGFRFDAAKHIELPDDGSYGSQFWPNITNTSAEFQYGEILQDSASRDAAYANYMDVTASNYGHSIRSALKNRNLGVSNISHYASDVSADKLVTWVESHDTYANDDEESTWMSDDDIRLGWAVIASRSGSTPLFFSRPEGGGNGVRFPGKSQIGDRGSALFEDQAITAVNRFHNVMAGQPEELSNPNGNNQIFMNQRGSHGVVLANAGSSSVSINTATKLPDGRYDNKAGAGSFQVNDGKLTGTINARSVAVLYPDDIAKAPHVFLENYKTGVTHSFNDQLTITLRADANTTKAVYQINNGPETAFKDGDQFTIGKGDPFGKTYTIMLKGTNSDGVTRTEKYSFVKRDPASAKTIGYQNPNHWSQVNAYIYKHDGSRVIELTGSWPGKPMTKNADGIYTLTLPADTDTTNAKVIFNNGSAQVPGQNQPGFDYVLNGLYNDSGLSGSLPH |
| Organism_Source | Bacillus subtilis (strain 168) |
| Functional_Classification | glycosyl hydrolases |
| Cellular_Localization | Extracellular |
| Gene_Names | amyE |
| UniProt_ID | P00691 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | FHENWS |
|---|---|
| Peptide_Sequence | FHENWS |
| Peptide_Length | 6 |
| Peptide_SMILES | NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 818.84 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 3.83333 |
| Charge_at_pH_7 | -0.90933 |
| Isoelectric_Point | 5.36351 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 353.91000 |
| X_logP_energy | -2.51270 |
Interaction Information
| Affinity | KD=4 uM |
|---|---|
| Affinity_Assay | batch adsorption isotherm |
| PDB_ID | 1UA7 |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Rational design of affinity peptide ligand by flexible docking simulation |
| Release_Year | 2007 |
| PMID | 17298835 |
| DOI | 10.1016/j.chroma.2007.01.130 |