PPIRE11671

Target Protein Information
Protein_Name NAD-dependent protein deacetylase sirtuin-2
Protein_Sequence MAEPDPSHPLETQAGKVQEAQDSDSDSEGGAAGGEADMDFLRNLFSQTLSLGSQKERLLDELTLEGVARYMQSERCRRVICLVGAGISTSAGIPDFRSPSTGLYDNLEKYHLPYPEAIFEISYFKKHPEPFFALAKELYPGQFKPTICHYFMRLLKDKGLLLRCYTQNIDTLERIAGLEQEDLVEAHGTFYTSHCVSASCRHEYPLSWMKEKIFSEVTPKCEDCQSLVKPDIVFFGESLPARFFSCMQSDFLKVDLLLVMGTSLQVQPFASLISKAPLSTPRLLINKEKAGQSDPFLGMIMGLGGGMDFDSKKAYRDVAWLGECDQGCLALAELLGWKKELEDLVRREHASIDAQSGAGVPNPSTSASPKKSPPPAKDEARTTEREKPQ
Organism_Source Homo sapiens
Functional_Classification deacetylases
Cellular_Localization Cytoplasm
Gene_Names SIRT2
UniProt_ID Q8IXJ6
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name S2iL5
Peptide_Sequence YHTYHVXRRTNYYC
Peptide_Length 14
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O
Chemical_Modification X7=epsilon-trifluoroacetyllysine
Cyclization_Method side chain-side chain cyclization; Y1<->C14; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1833.01
Aliphatic_Index 20.71429
Aromaticity 0.28571
Average_Rotatable_Bonds 3.78571
Charge_at_pH_7 2.11442
Isoelectric_Point 9.15179
Number_of_Hydrogen_Bond_Acceptors 27
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 787.25000
X_logP_energy -7.19376
Interaction Information
Affinity KD=1 nM
Affinity_Assay Surface plasmon resonance
PDB_ID 4L3O
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structural basis for potent inhibition of SIRT2 deacetylase by a macrocyclic peptide inducing dynamic structural change.
Release_Year 2014
PMID 24389023
DOI 10.1016/j.str.2013.12.001