PPIRE17198
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 | TB-CP-6.9a |
|---|---|
| Peptide_Sequence | CPRRRTPRGQC |
| Peptide_Length | 11 |
| Peptide_SMILES | C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)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](CS)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C1<-->C11; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1329.56 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.72727 |
| Charge_at_pH_7 | 3.87402 |
| Isoelectric_Point | 12.02344 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 20 |
| Number_of_Hydrogen_Bond_Donors | 26 |
| Topological_Polar_Surface_Area | 647.66000 |
| X_logP_energy | -9.55092 |
Interaction Information
| Affinity | KD=5.3 uM |
|---|---|
| Affinity_Assay | Isothermal Titration Calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| 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 |