PPIRE17965

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 Peptide 1
Peptide_Sequence CLDILVPRQRTPRGQAFVIC
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(C)C
Chemical_Modification None
Cyclization_Method Side chain cyclization; C1<-->C20; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2285.75
Aliphatic_Index 112.00000
Aromaticity 0.05000
Average_Rotatable_Bonds 3.60000
Charge_at_pH_7 1.87447
Isoelectric_Point 8.83478
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 34
Topological_Polar_Surface_Area 928.05000
X_logP_energy -7.95179
Interaction Information
Affinity KD=1.8 uM
Affinity_Assay fluorescence emission
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure of HIV TAR in complex with a Lab-Evolved RRM provides insight into duplex RNA recognition and synthesis of a constrained peptide that impairs transcription
Release_Year 2018
PMID 29961805
DOI 10.1093/nar/gky529