PPIRE13897

Target Protein Information
Protein_Name Acetylcholine receptor subunit alpha/Acetylcholine receptor subunit beta//Acetylcholine receptor subunit epsilon
Protein_Sequence MELSTVLLLLGLCSAGLVLGSEHETRLVAKLFEDYSSVVRPVEDHREIVQVTVGLQLIQLINVDEVNQIVTTNVRLKQQWVDYNLKWNPDDYGGVKKIHIPSEKIWRPDVVLYNNADGDFAIVKFTKVLLDYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTWTYDGSVVAINPESDQPDLSNFMESGEWVIKEARGWKHWVFYSCCPTTPYLDITYHFVMQRLPLYFIVNVIIPCLLFSFLTSLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLFTMVFVIASIIITVIVINTHHRSPSTHIMPEWVRKVFIDTIPNIMFFSTMKRPSRDKQEKRIFTEDIDISDISGKPGPPPMGFHSPLIKHPEVKSAIEGVKYIAETMKSDQESNNAAEEWKYVAMVMDHILLGVFMLVCLIGTLAVFAGRLIELHQQG/MALGALLLLLGVLGTPLAPGARGSEAEGQLIKKLFSNYDSSVRPAREVGDRVGVSIGLTLAQLISLNEKDEEMSTKVYLDLEWTDYRLSWDPAEHDGIDSLRITAESVWLPDVVLLNNNDGNFDVALDINVVVSFEGSVRWQPPGLYRSSCSIQVTYFPFDWQNCTMVFSSYSYDSSEVSLKTGLDPEGEERQEVYIHEGTFIENGQWEIIHKPSRLIQLPGDQRGGKEGHHEEVIFYLIIRRKPLFYLVNVIAPCILITLLAIFVFYLPPDAGEKMGLSIFALLTLTVFLLLLADKVPETSLAVPIIIKYLMFTMVLVTFSVILSVVVLNLHHRSPHTHQMPFWVRQIFIHKLPPYLGLKRPKPERDQLPEPHHSLSPRSGWGRGTDEYFIRKPPSDFLFPKLNRFQPESSAPDLRRFIDGPTRAVGLPQELREVISSISYMARQLQEQEDHDALKEDWQFVAMVVDRLFLWTFIVFTSVGTLVIFLDATYHLPPPEPFP/MVWLPEIVLENNNDGSFQISYACNVLVYDSGYVTWLPPAIFRSSCPISVTYFPFDWQNCSLKFSSLKYTAKEITLSLKQEEENNRSYPIEWIIIDPEGFTENGEWEIVHRAAKLNVDPSVPMDSTNHQDVTFYLIIRRKPLFYIINILVPCVLISFMINLVFYLPGDCGEKTSVAISVLLAQSVFLLLISKRLPATSMAIPLVGKFLLFGMVLVTMVVVICVIVLNIHFRTPSTHVLSEGVKKFFLETLPKLLHMSRPAEEDPGPRALIRRSSSLGYICKAEEYFSLKSRSDLMFEKQSERHGLARRLTTARRPPASSEQVQQELFNEMKPAVDGANFIVNHMRDQNSYNEEKDNWNQVARTVDRLCLFVVTPVMVVGTAWIFLQGVYNQPPLQPFPGDPFSYSEQDKRFI/MAGALLGALLLLTLFGRSQGKNEELSLYHHLFDNYDPECRPVRRPEDTVTITLKVTLTNLISLNEKEETLTTSVWIGIDWHDYRLNYSKDDFAGVGILRVPSEHVWLPEIVLENNIDGQFGVAYDSNVLVYEGGYVSWLPPAIYRSTCAVEVTYFPFDWQNCSLIFRSQTYNAEEVEFIFAVDDDGNTINKIDIDTAAFTENGEWAIDYCPGMIRRYEGGSTEGPGETDVIYTLIIRRKPLFYVINIIVPCVLISGLVLLAYFLPAQAGGQKCTVSINVLLAQTVFLFLIAQKIPETSLSVPLLGRYLIFVMVVATLIVMNCVIVLNVSLRTPTTHATSPRLRQILLELLPRLLGSSPPPEDPRTASPARRASSVGILLRAEELILKKPRSELVFEGQRHRHGTWTAALCQNLGAAAPEIRCCVDAVNFVAESTRDQEATGEELSDWVRMGKALDNVCFWAALVLFSVGSTLIFLGGYFNQVPDLPYPPCIQP
Organism_Source Mus musculus
Functional_Classification ion channels; nicotinic acetylcholine receptor
Cellular_Localization Plasma membrane
Gene_Names Chrna1/Chrnb1/Chrnd/Chrne
UniProt_ID P04756/P09690/A0A087WNX8/P20782
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Azemiopsin
Peptide_Sequence DSPKWYIRGVWPDQHFKKYQ
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2578.92
Aliphatic_Index 34.00000
Aromaticity 0.25000
Average_Rotatable_Bonds 3.95000
Charge_at_pH_7 2.08720
Isoelectric_Point 9.86588
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 35
Topological_Polar_Surface_Area 1020.33000
X_logP_energy -5.36853
Interaction Information
Affinity IC50=19 nM
Affinity_Assay fluorescence calcium imaging
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Azemiopsin, a Selective Peptide Antagonist of Muscle Nicotinic Acetylcholine Receptor: Preclinical Evaluation as a Local Muscle Relaxant.
Release_Year 2018
PMID 29316656
DOI 10.3390/toxins10010034