PPIRE06003
Target Protein Information
| Protein_Name | Heat shock protein HSP 90-beta |
|---|---|
| Protein_Sequence | MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEEDKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRVFIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELAEDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQKSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEGLELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFETALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRMEEVD |
| Organism_Source | Homo sapiens |
| Functional_Classification | molecular chaperones |
| Cellular_Localization | Cytoplasm |
| Gene_Names | HSP90AB1 |
| UniProt_ID | P08238 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | LB63 |
|---|---|
| Peptide_Sequence | AYSNK |
| Peptide_Length | 5 |
| Peptide_SMILES | C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Main chain-main chain cyclization; A1<->K5; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 581.63 |
|---|---|
| Aliphatic_Index | 20.00000 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 3.60000 |
| Charge_at_pH_7 | 0.99684 |
| Isoelectric_Point | 9.29830 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 10 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 289.29000 |
| X_logP_energy | -3.69760 |
Interaction Information
| Affinity | IC50=2 mM |
|---|---|
| Affinity_Assay | ELISA |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Delivering bioactive cyclic peptides that target Hsp90 as prodrugs. |
| Release_Year | 2019 |
| PMID | 30822267 |
| DOI | 10.1080/14756366.2019.1580276 |