PPIRE06658

Target Protein Information
Protein_Name Amine oxidase [flavin-containing] A
Protein_Sequence MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHVDYVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELIDKICWTKTARRFAYLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMDLLGDQVKLNHPVTHVDQSSDNIIIETLNHEHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADRLAKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLNGLGKVTEKDIWVQEPESKDVPAVEITHTFWERNLPSVSGLLKIIGFSTSVTALGFVLYKYKLLPRS
Organism_Source Homo sapiens
Functional_Classification oxidoreductases
Cellular_Localization Mitochondrion
Gene_Names MAOA
UniProt_ID P21397
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name VFEVFW
Peptide_Sequence VFEVFW
Peptide_Length 6
Peptide_SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 825.96
Aliphatic_Index 96.66667
Aromaticity 0.50000
Average_Rotatable_Bonds 3.66667
Charge_at_pH_7 -1.00024
Isoelectric_Point 3.84998
Number_of_Hydrogen_Bond_Acceptors 8
Number_of_Hydrogen_Bond_Donors 9
Topological_Polar_Surface_Area 261.91000
X_logP_energy 2.20850
Interaction Information
Affinity IC50=0.405 mM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Discovery of monoamine oxidase A inhibitory peptides from hairtail (Trichiurus japonicus)using in vitro simulated gastrointestinal digestion and in silico studies.
Release_Year 2020
PMID 32599370
DOI 10.1016/j.bioorg.2020.104032