PPIRE13616

Target Protein Information
Protein_Name Pancreatic alpha-amylase
Protein_Sequence MKLFLLLSAFGFCWAQYAPQTQSGRTSIVHLFEWRWVDIALECERYLGPKGFGGVQVSPPNENIVVTNPSRPWWERYQPVSYKLCTRSGNENEFRDMVTRCNNVGVRIYVDAVINHMCGSGAAAGTGTTCGSYCNPGNREFPAVPYSAWDFNDGKCKTASGGIESYNDPYQVRDCQLVGLLDLALEKDYVRSMIADYLNKLIDIGVAGFRIDASKHMWPGDIKAVLDKLHNLNTNWFPAGSRPFIFQEVIDLGGEAIQSSEYFGNGRVTEFKYGAKLGTVVRKWSGEKMSYLKNWGEGWGFMPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKVAVGFMLAHPYGFTRVMSSYRWARNFVNGQDVNDWIGPPNNNGVIKEVTINADTTCGNDWVCEHRWRQIRNMVWFRNVVDGQPFANWWANGSNQVAFGRGNRGFIVFNNDDWQLSSTLQTGLPGGTYCDVISGDKVGNSCTGIKVYVSSDGTAQFSISNSAEDPFIAIHAESKL
Organism_Source Sus scrofa
Functional_Classification hydrolases
Cellular_Localization Extracellular
Gene_Names AMY2
UniProt_ID P00690
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CSP2
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=0.04 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Extraction, identification, and structure-activity relationship of antioxidative and Alpha-amylase inhibitory peptides from cumin seeds (Cuminum cyminum)
Release_Year 2016
PMID None
DOI 10.1016/j.jff.2016.01.011