PPIRE09097

Target Protein Information
Protein_Name Pancreatic alpha-amylase
Protein_Sequence MKFFLLLFTIGFCWAQYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVAIYNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVINHMCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIENYNDATQVRDCRLTGLLDLALEKDYVRSKIAEYMNHLIDIGVAGFRLDASKHMWPGDIKAILDKLHNLNSNWFPAGSKPFIYQEVIDLGGEPIKSSDYFGNGRVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWGFVPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWPRQFQNGNDVNDWVGPPNNNGVIKEVTINPDTTCGNDWVCEHRWRQIRNMVIFRNVVDGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWSFSLTLQTGLPAGTYCDVISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL
Organism_Source Homo sapiens
Functional_Classification glycosidases
Cellular_Localization Extracellular
Gene_Names AMY2A
UniProt_ID P04746
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name piHA-Dm
Peptide_Sequence yYPYSCWRH
Peptide_Length 9
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
Chemical_Modification None
Cyclization_Method Main chain-side chain cyclization; y1<->C6; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Chloroacetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1274.42
Aliphatic_Index 0.00000
Aromaticity 0.44444
Average_Rotatable_Bonds 3.55556
Charge_at_pH_7 1.02436
Isoelectric_Point 8.49520
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 474.62000
X_logP_energy -1.49703
Interaction Information
Affinity Ki=7 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 5KEZ
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Rapid Discovery of Potent and Selective Glycosidase-Inhibiting De Novo Peptides.
Release_Year 2017
PMID 28262556
DOI 10.1016/j.chembiol.2017.02.001