PPIRE13510
Target Protein Information
| Protein_Name | Lysine-specific histone demethylase 1A |
|---|---|
| Protein_Sequence | MLSGKKAAAAAAAAAAAATGTEAGPGTAGGSENGSEVAAQPAGLSGPAEVGPGAVGERTPRKKEPPRASPPGGLAEPPGSAGPQAGPTVVPGSATPMETGIAETPEGRRTSRRKRAKVEYREMDESLANLSEDEYYSEEERNAKAEKEKKLPPPPPQAPPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM |
| Organism_Source | Homo sapiens |
| Functional_Classification | demethylases |
| Cellular_Localization | Nucleus |
| Gene_Names | KDM1A |
| UniProt_ID | O60341 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | peptide 6 |
|---|---|
| Peptide_Sequence | XARTMQTARKSTGGKAPRKQL |
| Peptide_Length | 21 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)[C@@H](C)O |
| Chemical_Modification | X1=2-hydroxyacetyl |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | 2-Hydroxyacetyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 2243.62 |
|---|---|
| Aliphatic_Index | 32.85714 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.76190 |
| Charge_at_pH_7 | 5.99709 |
| Isoelectric_Point | 12.81970 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 35 |
| Number_of_Hydrogen_Bond_Donors | 39 |
| Topological_Polar_Surface_Area | 1067.39000 |
| X_logP_energy | -15.80389 |
Interaction Information
| Affinity | Ki=500 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Development and crystallographic evaluation of histone H3 peptide with N-terminal serine substitution as a potent inhibitor of lysine-specific demethylase 1. |
| Release_Year | 2017 |
| PMID | 28336409 |
| DOI | 10.1016/j.bmc.2017.03.016 |