PPIRE11311

Target Protein Information
Protein_Name Neuronal acetylcholine receptor subunit alpha-9
Protein_Sequence MNWSHSCISFCWIYFAASRLRAAETADGKYAQKLFNDLFEDYSNALRPVEDTDKVLNVTLQITLSQIKDMDERNQILTAYLWIRQIWHDAYLTWDRDQYDGLDSIRIPSDLVWRPDIVLYNKADDESSEPVNTNVVLRYDGLITWDAPAITKSSCVVDVTYFPFDNQQCNLTFGSWTYNGNQVDIFNALDSGDLSDFIEDVEWEVHGMPAVKNVISYGCCSEPYPDVTFTLLLKRRSSFYIVNLLIPCVLISFLAPLSFYLPAASGEKVSLGVTILLAMTVFQLMVAEIMPASENVPLIGKYYIATMALITASTALTIMVMNIHFCGAEARPVPHWARVVILKYMSRVLFVYDVGESCLSPHHSRERDHLTKVYSKLPESNLKAARNKDLSRKKDMNKRLKNDLGCQGKNPQEAESYCAQYKVLTRNIEYIAKCLKDHKATNSKGSEWKKVAKVIDRFFMWIFFIMVFVMTILIIARAD
Organism_Source Homo sapiens
Functional_Classification ligand-gated ion channels
Cellular_Localization Plasma membrane
Gene_Names CHRNA9
UniProt_ID Q9UGM1
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name alpha-conotoxin RgIA
Peptide_Sequence GCCSDPRCRYRCR
Peptide_Length 13
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<->C3; disulfide bond; C2<->C4; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1574.83
Aliphatic_Index 0.00000
Aromaticity 0.07692
Average_Rotatable_Bonds 3.76923
Charge_at_pH_7 2.74967
Isoelectric_Point 8.68288
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 729.09000
X_logP_energy -10.45892
Interaction Information
Affinity Ki=2.7 uM
Affinity_Assay radioligand competition binding assay
PDB_ID 6HY7
Type Ion channel modulator
Structure
Reference Information
Document_Type Research Articles
Title Crystal Structure of the Monomeric Extracellular Domain of Alpha9 Nicotinic Receptor Subunit in Complex With Alpha-Conotoxin RgIA: Molecular Dynamics Insights Into RgIA Binding to Alpha9Alpha10 Nicotinic Receptors.
Release_Year 2019
PMID 31118896
DOI 10.3389/fphar.2019.00474