PPIRE18562

Target Protein Information
Protein_Name Protein Tat
Protein_Sequence MPGPWVAMIMLPQPKESFGGKPIGWLFWNTCKGPRRDCPHCCCPICSWHCQLCFLQKNLGINYGSGPRRRGTRGKGRRIRRTASGGDQRREADSQRSFTNMDQ
Organism_Source Bovine immunodeficiency virus (strain R29)
Functional_Classification viral RNA regulatory element
Cellular_Localization Nucleus
Gene_Names tat
UniProt_ID P19564
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name cyclic BIV Tat peptide
Peptide_Sequence yGRGTRGKGRRIVN
Peptide_Length 14
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C
Chemical_Modification y1=D-tyrosine
Cyclization_Method Main chain-main chain cyclization; y1<-->N14; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification none
C-terminal_Modification none
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1589.82
Aliphatic_Index 48.57143
Aromaticity 0.07143
Average_Rotatable_Bonds 3.92857
Charge_at_pH_7 4.99683
Isoelectric_Point 12.51004
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 798.79000
X_logP_energy -10.68502
Interaction Information
Affinity KD=1 uM
Affinity_Assay NMR chemical shift perturbation
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Design of a Cyclic Peptide that Targets a Viral RNA
Release_Year 2003
PMID 14677935
DOI 10.1021/ja036344h