PPIRE00431
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 9 |
|---|---|
| Peptide_Sequence | RHRXVLR |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O |
| Chemical_Modification | X4=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 | 893.06 |
|---|---|
| Aliphatic_Index | 97.14286 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 4.28571 |
| Charge_at_pH_7 | 3.08888 |
| Isoelectric_Point | 12.80107 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 12 |
| Number_of_Hydrogen_Bond_Donors | 18 |
| Topological_Polar_Surface_Area | 452.30000 |
| X_logP_energy | -4.60379 |
Interaction Information
| Affinity | KD=192 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 |