PPIRE08180
Target Protein Information
| Protein_Name | Estrogen receptor |
|---|---|
| Protein_Sequence | MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV |
| Organism_Source | Homo sapiens |
| Functional_Classification | nuclear receptor |
| Cellular_Localization | Nucleus |
| Gene_Names | ESR1 |
| UniProt_ID | P03372 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 6FITC |
|---|---|
| Peptide_Sequence | RXIXXXXQ |
| Peptide_Length | 8 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O |
| Chemical_Modification | X2=isoaspartic acid; X4=neopentyl glycine; X5=2,3-diaminopropionic acid; X7=neopentyl glycine; X8=neopentyl glycine |
| Cyclization_Method | Main chain-main chain cyclization; isoAsp2<->Dap5; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 700.75 |
|---|---|
| Aliphatic_Index | 48.75000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 372.01000 |
| X_logP_energy | -6.47623 |
Interaction Information
| Affinity | KD=67 nM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | 5GTR |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structural Basis of Inhibition of ERAlpha-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides. |
| Release_Year | 2017 |
| PMID | 29045135 |
| DOI | 10.1021/acs.jmedchem.7b00732 |