PPIRE13587

Target Protein Information
Protein_Name Alpha-amylase
Protein_Sequence MFEKRFKTSLLPLFAGFLLLFHLVLSGPAAANAETANKSNKVTASSVKNGTILHAWNWSFNTLTQNMKDIRDAGYAAIQTSPINQVKEGNQGDKSMRNWYWLYQPTSYQIGNRYLGTEQEFKDMCAAAEKYGVKVIVDAVINHTTSDYGAISDEIKRIPNWTHGNTQIKNWSDRWDVTQNSLLGLYDWNTQNTEVQVYLKRFLERALNDGADGFRYDAAKHIELPDDGNYGSQFWPNITNISAEFQYGEILQDSASRDTAYANYMNVTASNYGHSIRSALKNRNLSVSNISHYASDVSADKLVTWVESHDTYANDDEESTWMSDDDIRLGWAVIGSRSGSTPLFFSRPEGGGNGVRFPGKSQIGDRGSALFKDQAITAVNQFHNVMAGQPEELSNPNGNNQIFMNQRGSKGVVLANAGSSSVTINTSTKLPDGRYDNRAGAGSFQVTNGKLTGTINARSAAVLYPDNIGNAPHVFLENYQTGAVHSFNDQLTVTLRANAKTTKAVYQINNGQQTAFKDGDRLTIGKGDPIGTTYNIKLTGTNGEGAARTQEYTFVKKDPSQTNIIGYQNPDQWGQVNAYIYKHDGGRAIELTGSWPGKAMTKNADGMYTLTLPENADTANAKVIFNNGSAQVPGQNQPGFDYVQNGLYNNSGLNGYLPH
Organism_Source Bacillus sp. BBM1
Functional_Classification glycoside hydrolases
Cellular_Localization Extracellular
Gene_Names amyE
UniProt_ID D5LN31
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CSP4
Peptide_Sequence RCMAFLLSDGAAAAQQLLPQYW
Peptide_Length 22
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2453.86
Aliphatic_Index 93.63636
Aromaticity 0.13636
Average_Rotatable_Bonds 3.45455
Charge_at_pH_7 -0.06440
Isoelectric_Point 6.15812
Number_of_Hydrogen_Bond_Acceptors 32
Number_of_Hydrogen_Bond_Donors 33
Topological_Polar_Surface_Area 950.35000
X_logP_energy -6.87473
Interaction Information
Affinity IC50=0.11 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Development of a workflow for screening and identification of Alpha-amylase inhibitory peptides from food source using an integrated Bioinformatics-phage display approach: Case study - Cumin seed.
Release_Year 2017
PMID 27507449
DOI 10.1016/j.foodchem.2016.07.069