PPIRE17199

Target Protein Information
Protein_Name Protein Tat
Protein_Sequence MEPVDPRLEPWKHPGSQPKTACTNCYCKKCCFHCQVCFITKALGISYGRKKRRQRRRAHQNSQTHQASLSKQPTSQPRGDPTGPKE
Organism_Source Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)
Functional_Classification Transcriptional activators viral transactivators
Cellular_Localization Nucleus
Gene_Names tat
UniProt_ID P04608
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Tat ARM peptide
Peptide_Sequence GISYGRKKRRQRRRAHQ
Peptide_Length 17
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2153.49
Aliphatic_Index 28.82353
Aromaticity 0.05882
Average_Rotatable_Bonds 4.58824
Charge_at_pH_7 8.08743
Isoelectric_Point 12.80804
Number_of_Hydrogen_Bond_Acceptors 31
Number_of_Hydrogen_Bond_Donors 43
Topological_Polar_Surface_Area 1107.68000
X_logP_energy -14.24108
Interaction Information
Affinity KD=9.5 nM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Co-crystal structures of HIV TAR RNA bound to lab-evolved proteins show key roles for arginine relevant to the design of cyclic peptide TAR inhibitors
Release_Year 2020
PMID 33051202
DOI 10.1074/jbc.RA120.015444