PPIRE11462

Target Protein Information
Protein_Name Dipeptidyl peptidase 4
Protein_Sequence MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP
Organism_Source Homo sapiens
Functional_Classification serine proteases
Cellular_Localization Plasma membrane
Gene_Names DPP4
UniProt_ID P27487
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name IAQPQEKAPDPFRH
Peptide_Sequence IAQPQEKAPDPFRH
Peptide_Length 14
Peptide_SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)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 1633.83
Aliphatic_Index 42.14286
Aromaticity 0.07143
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 0.09082
Isoelectric_Point 7.55034
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 692.63000
X_logP_energy -6.22353
Interaction Information
Affinity IC50=0.81 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 1N1M
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structural locations and functional roles of new subsites S5, S6, and S7 in memapsin 2 (beta-secretase).
Release_Year 2020
PMID None
DOI 10.1016/j.fbio.2020.100748