PPIRE05749
Target Protein Information
| Protein_Name | Protein AF-9 |
|---|---|
| Protein_Sequence | MASSCAVQVKLELGHRAQVRKKPTVEGFTHDWMVFVRGPEHSNIQHFVEKVVFHLHESFPRPKRVCKDPPYKVEESGYAGFILPIEVYFKNKEEPRKVRFDYDLFLHLEGHPPVNHLRCEKLTFNNPTEDFRRKLLKAGGDPNRSIHTSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSTSFSKPHKLMKEHKEKPSKDSREHKSAFKEPSRDHNKSSKESSKKPKENKPLKEEKIVPKMAFKEPKPMSKEPKPDSNLLTITSGQDKKAPSKRPPISDSEELSAKKRKKSSSEALFKSFSSAPPLILTCSADKKQIKDKSHVKMGKVKIESETSEKKKSTLPPFDDIVDPNDSDVEENISSKSDSEQPSPASSSSSSSSSFTPSQTRQQGPLRSIMKDLHSDDNEEESDEVEDNDNDSEMERPVNRGGSRSRRVSLSDGSDSESSSASSPLHHEPPPPLLKTNNNQILEVKSPIKQSKSDKQIKNGECDKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS |
| Organism_Source | Homo sapiens |
| Functional_Classification | histone crotonylation readers |
| Cellular_Localization | Nucleus |
| Gene_Names | MLLT3 |
| UniProt_ID | P42568 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | XL-13a |
|---|---|
| Peptide_Sequence | QTARX |
| Peptide_Length | 5 |
| Peptide_SMILES | C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O |
| Chemical_Modification | X5=5-oxazolecarbonyl |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Cbz |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 531.57 |
|---|---|
| Aliphatic_Index | 20.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.40000 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 9 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 304.94000 |
| X_logP_energy | -5.10163 |
Interaction Information
| Affinity | IC50=0.24 uM |
|---|---|
| Affinity_Assay | competitive radioligand binding assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure-guided development of YEATS domain inhibitors by targeting Pi-Pi-Pi stacking. |
| Release_Year | 2018 |
| PMID | 30374167 |
| DOI | 10.1038/s41589-018-0144-y |