PPIRE11301

Target Protein Information
Protein_Name Apical membrane antigen 1
Protein_Sequence CPVFGKGIIIENSKTTFLTPVATENQDLKDGGFAFPPTKPLMSPMTLDHMRDFYKDNEYVKNLDELTLCSRHAGNMNPDNDKNSNYKYPAVYDYNDKKCHILYIAAQENNGPRYCNKDESKRNSMFCFRPAKDISFQNYTYLSKNVVDNWEKVCPRKNLQNAKFGLWVDGNCEDIPHVNEFSANDLFECNKLVFELSASDQPKQYEQHLTDYEKIKEGFKNKNASMIKSAFLPTGAFKADRYKSHGKGYNWGNYNTETHKCEIFNVKPTCLINNSSYIATTALSHPIEVENNFPCSLYKDEIMKEIERESKRIKLNDNDDEGNKKIIAPRIFISDDKDSLKCPCDPEMVSNSTCRFFVCKCVERRAEVTSNNEVVVKEEYKDEYADIPEHKPTYDNMKIIIASSAAVAVLATILMVYLYKRKGNAEKYDKMDEPQHYGKSNSRNDEMLD
Organism_Source Plasmodium falciparum
Functional_Classification membrane proteins
Cellular_Localization Plasma membrane
Gene_Names AMA1
UniProt_ID A0A0X8IHV3
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name bcRON2hp
Peptide_Sequence CWTTRMSPPMQIp
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](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)O
Chemical_Modification None
Cyclization_Method Main chain-main chain cyclization; C1<->p13; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1547.87
Aliphatic_Index 30.00000
Aromaticity 0.07692
Average_Rotatable_Bonds 3.30769
Charge_at_pH_7 0.93601
Isoelectric_Point 8.54991
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 567.62000
X_logP_energy -4.77673
Interaction Information
Affinity KD=15 uM
Affinity_Assay Surface plasmon resonance
PDB_ID 6N7Q
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Identification of the Binding Site of Apical Membrane Antigen?1 (AMA1)Inhibitors Using a Paramagnetic Probe.
Release_Year 2018
PMID 30653832
DOI 10.1002/cmdc.201800802