PPIRE11289

Target Protein Information
Protein_Name Apical membrane antigen 1
Protein_Sequence CPVFGKGIIIENSKTTFLTPVATENQDLKDGGFAFPPTKPLMSPMTLDHMRDFYKDNEYVKNLDELTLCSRHAGNMNPDNDKNSNYKYPAVYDYNDKKCHILYIAAQENNGPRYCNKDESKRNSMFCFRPAKDISFQNYTYLSKNVVDNWEKVCPRKNLQNAKFGLWVDGNCEDIPHVNEFSANDLFECNKLVFELSASDQPKQYEQHLTDYEKIKEGFKNKNASMIKSAFLPTGAFKADRYKSHGKGYNWGNYNTETHKCEIFNVKPTCLINNSSYIATTALSHPIEVENNFPCSLYKDEIMKEIERESKRIKLNDNDDEGNKKIIAPRIFISDDKDSLKCPCDPEMVSNSTCRFFVCKCVERRAEVTSNNEVVVKEEYKDEYADIPEHKPTYDNMKIIIASSAAVAVLATILMVYLYKRKGNAEKYDKMDEPQHYGKSNSRNDEMLD
Organism_Source Plasmodium falciparum
Functional_Classification type I integral membrane protein
Cellular_Localization Plasma membrane
Gene_Names AMA1
UniProt_ID A0A0X8IHV3
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name RON2hp[Gln2046Met]
Peptide_Sequence CFTTRMSPPMQIC
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<->C13; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1514.85
Aliphatic_Index 30.00000
Aromaticity 0.07692
Average_Rotatable_Bonds 3.46154
Charge_at_pH_7 0.87403
Isoelectric_Point 8.23141
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 560.62000
X_logP_energy -5.83443
Interaction Information
Affinity KD=27 uM
Affinity_Assay Surface plasmon resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structure-Activity Studies of Beta-Hairpin Peptide Inhibitors of the Plasmodium falciparum AMA1-RON2 Interaction.
Release_Year 2016
PMID 27422009
DOI 10.1016/j.jmb.2016.07.001