PPIRE19505

Target Protein Information
Protein_Name Amyloid-beta precursor protein
Protein_Sequence MLPGLALLLLAAWTARALEVPTDGNAGLLAEPQIAMFCGRLNMHMNVQNGKWDSDPSGTKTCIDTKEGILQYCQEVYPELQITNVVEANQPVTIQNWCKRGRKQCKTHPHFVIPYRCLVGEFVSDALLVPDKCKFLHQERMDVCETHLHWHTVAKETCSEKSTNLHDYGMLLPCGIDKFRGVEFVCCPLAEESDNVDSADAEEDDSDVWWGGADTDYADGSEDKVVEVAEEEEVAEVEEEEADDDEDDEDGDEVEEEAEEPYEEATERTTSIATTTTTTTESVEEVVREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCGSAMSQSLLKTTQEPLARDPVKLPTTAASTPDAVDKYLETPGDENEHAHFQKAKERLEAKHRERMSQVMREWEEAERQAKNLPKADKKAVIQHFQEKVESLEQEAANERQQLVETHMARVEAMLNDRRRLALENYITALQAVPPRPRHVFNMLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRSQVMTHLRVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQKEQNYSDDVLANMISEPRISYGNDALMPSLTETKTTVELLPVNGEFSLDDLQPWHSFGADSVPANTENEVEPVDARPAADRGLTTRPGSGLTNIKTEEISEVKMDAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITLVMLKKKQYTSIHHGVVEVDAAVTPEERHLSKMQQNGYENPTYKFFEQMQN
Organism_Source Homo sapiens
Functional_Classification amyloid peptides
Cellular_Localization Extracellular
Gene_Names APP
UniProt_ID P05067
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name ABeta16
Peptide_Sequence DAEFRHDSGYEVHHQK
Peptide_Length 16
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)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 1955.03
Aliphatic_Index 24.37500
Aromaticity 0.12500
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 -1.72599
Isoelectric_Point 6.21394
Number_of_Hydrogen_Bond_Acceptors 29
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 906.53000
X_logP_energy -9.60493
Interaction Information
Affinity KD=22 uM
Affinity_Assay Tyrosine fluorescence quenching
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Mercury and Alzheimer-鍌欒兌閸嬨劑宕曢弻銉﹀仒 Disease: Hg(II) Ions Display Specific Binding to the Amyloid-Beta Peptide and Hinder Its Fibrillization
Release_Year 2020
PMID 31892131
DOI 10.3390/biom10010044