PPIRE09073

Target Protein Information
Protein_Name Estrogen receptor
Protein_Sequence MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
Organism_Source Homo sapiens
Functional_Classification nuclear receptors
Cellular_Localization Nucleus
Gene_Names ESR1
UniProt_ID P03372
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name PERM-1
Peptide_Sequence KcILCRLLQ
Peptide_Length 9
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Chemical_Modification None
Cyclization_Method side chain-side chain cyclization; c2<->C5; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1089.42
Aliphatic_Index 173.33333
Aromaticity 0.00000
Average_Rotatable_Bonds 4.22222
Charge_at_pH_7 1.87374
Isoelectric_Point 8.82818
Number_of_Hydrogen_Bond_Acceptors 15
Number_of_Hydrogen_Bond_Donors 17
Topological_Polar_Surface_Area 427.13000
X_logP_energy -2.02153
Interaction Information
Affinity Ki=25 nM
Affinity_Assay time-resolved fluorescence-based coactivator interaction assay
PDB_ID 1PCG
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Helix-stabilized cyclic peptides as selective inhibitors of steroid receptor-coactivator interactions.
Release_Year 2003
PMID 13679575
DOI 10.1073/pnas.1934759100