PPIRE05359
Target Protein Information
| Protein_Name | Histone deacetylase 8 |
|---|---|
| Protein_Sequence | MEEPEEPADSGQSLVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVASMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQCLIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV |
| Organism_Source | Homo sapiens |
| Functional_Classification | histone deacetylases |
| Cellular_Localization | Nucleus |
| Gene_Names | HDAC8 |
| UniProt_ID | Q9BY41 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | trapoxin A |
|---|---|
| Peptide_Sequence | FFXX |
| Peptide_Length | 4 |
| Peptide_SMILES | N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X3=homoproline; X4=(2S,9S)-2-amino-8-oxo-9,10-epoxydecanoic acid |
| Cyclization_Method | Main chain-main chain cyclization; F1<->X4; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | None |
| C-terminal_Modification | None |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 426.47 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.50000 |
| Average_Rotatable_Bonds | 2.75000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 5 |
| Number_of_Hydrogen_Bond_Donors | 5 |
| Topological_Polar_Surface_Area | 150.62000 |
| X_logP_energy | -0.39910 |
Interaction Information
| Affinity | KD=3 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | 5VI6 |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8. |
| Release_Year | 2017 |
| PMID | 28846375 |
| DOI | 10.1021/acschembio.7b00330 |