PPIRE00432
Target Protein Information
| Protein_Name | N-lysine methyltransferase KMT5A |
|---|---|
| Protein_Sequence | MGEGGAAAALVAAAAAAAAAAAAVVAGQRRRRLGRRARCHGPGRAAGGKMSKPCAVEAAAAAVAATAPGPEMVERRGPGRPRTDGENVFTGQSKIYSYMSPNKCSGMRFPLQEENSVTHHEVKCQGKPLAGIYRKREEKRNAGNAVRSAMKSEEQKIKDARKGPLVPFPNQKSEAAEPPKTPPSSCDSTNAAIAKQALKKPIKGKQAPRKKAQGKTQQNRKLTDFYPVRRSSRKSKAELQSEERKRIDELIESGKEEGMKIDLIDGKGRGVIATKQFSRGDFVVEYHGDLIEITDAKKREALYAQDPSTGCYMYYFQYLSKTYCVDATRETNRLGRLINHSKCGNCQTKLHDIDGVPHLILIASRDIAAGEELLYDYGDRSKASIEAHPWLKH |
| Organism_Source | Homo sapiens |
| Functional_Classification | Histone methyltransferase |
| Cellular_Localization | Nucleus |
| Gene_Names | KMT5A |
| UniProt_ID | Q9NQR1 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | peptide 10 |
|---|---|
| Peptide_Sequence | HRXVL |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)O |
| Chemical_Modification | X3=Norleucine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 580.69 |
|---|---|
| Aliphatic_Index | 136.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.60000 |
| Charge_at_pH_7 | 1.08889 |
| Isoelectric_Point | 10.55176 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 270.30000 |
| X_logP_energy | -2.09993 |
Interaction Information
| Affinity | KD=185 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | None |
| Type | Antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8. |
| Release_Year | 2016 |
| PMID | 27994746 |
| DOI | 10.1021/acsmedchemlett.6b00303 |