PPIRE09093

Target Protein Information
Protein_Name Pancreatic alpha-amylase
Protein_Sequence MKLFLLLSAFGFCWAQYAPQTQSGRTSIVHLFEWRWVDIALECERYLGPKGFGGVQVSPPNENIVVTNPSRPWWERYQPVSYKLCTRSGNENEFRDMVTRCNNVGVRIYVDAVINHMCGSGAAAGTGTTCGSYCNPGNREFPAVPYSAWDFNDGKCKTASGGIESYNDPYQVRDCQLVGLLDLALEKDYVRSMIADYLNKLIDIGVAGFRIDASKHMWPGDIKAVLDKLHNLNTNWFPAGSRPFIFQEVIDLGGEAIQSSEYFGNGRVTEFKYGAKLGTVVRKWSGEKMSYLKNWGEGWGFMPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKVAVGFMLAHPYGFTRVMSSYRWARNFVNGQDVNDWIGPPNNNGVIKEVTINADTTCGNDWVCEHRWRQIRNMVWFRNVVDGQPFANWWANGSNQVAFGRGNRGFIVFNNDDWQLSSTLQTGLPGGTYCDVISGDKVGNSCTGIKVYVSSDGTAQFSISNSAEDPFIAIHAESKL
Organism_Source Sus scrofa
Functional_Classification glycosidases
Cellular_Localization Extracellular
Gene_Names AMY2
UniProt_ID P00690
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NFH VII
Peptide_Sequence YQXWRYpCQ
Peptide_Length 9
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Chemical_Modification X3=penicillamine
Cyclization_Method Side chain-side chain cyclization; X3<->C8; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1200.34
Aliphatic_Index 0.00000
Aromaticity 0.33333
Average_Rotatable_Bonds 3.66667
Charge_at_pH_7 0.93431
Isoelectric_Point 8.50655
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 491.66000
X_logP_energy -3.24103
Interaction Information
Affinity Ki=2010 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Correlation of LUMO localization with the alpha-amylase inhibition constant in a Tendamistat-based series of linear and cyclic peptides.
Release_Year 2005
PMID 15927835
DOI 10.1016/j.bmc.2005.04.019