PPIRE18704

Target Protein Information
Protein_Name Cell surface antigen I/II
Protein_Sequence MKVKKTYGFRKSKISKTLCGAVLGTVAAVSVAGQKVFADETTTTSDVDTKVVGTQTGNPATNLPEAQGSASKEAEQSQNQAGETNGSIPVEVPKTDLDQAAKDAKSAGVNVVQDADVNKGTVKTAEEAVQKETEIKEDYTKQAEDIKKTTDQYKSDVAAHEAEVAKIKAKNQATKEQYEKDMAAHKAEVERINAANAASKTAYEAKLAQYQADLAAVQKTNAANQAAYQKALAAYQAELKRVQEANAAAKAAYDTAVAANNAKNTEIAAANEEIRKRNATAKAEYETKLAQYQAELKRVQEANAANEADYQAKLTAYQTELARVQKANADAKAAYEAAVAANNAKNAALTAENTAIKQRNENAKATYEAALKQYEADLAAVKKANAANEADYQAKLTAYQTELARVQKANADAKAAYEAAVAANNAANAALTAENTAIKKRNADAKADYEAKLAKYQADLAKYQKDLADYPVKLKAYEDEQASIKAALAELEKHKNEDGNLTEPSAQNLVYDLEPNANLSLTTDGKFLKASAVDDAFSKSTSKAKYDQKILQLDDLDITNLEQSNDVASSMELYGNFGDKAGWSTTVSNNSQVKWGSVLLERGQSATATYTNLQNSYYNGKKISKIVYKYTVDPKSKFQGQKVWLGIFTDPTLGVFASAYTGQVEKNTSIFIKNEFTFYDEDGKPINFDNALLSVASLNRENNSIEMAKDYTGKFVKISGSSIGEKNGMIYATDTLNFRQGQGGARWTMYTRASEPGSGWDSSDAPNSWYGAGAIRMSGPNNSVTLGAISSTLVVPADPTMAIETGKKPNIWYSLNGKIRAVNVPKVTKEKPTPPVKPTAPTKPTYETEKPLKPAPVAPNYEKEPTPPTRTPDQAEPNKPTPPTYETEKPLEPAPVEPSYEAEPTPPTRTPDQAEPNKPTPPTYETEKPLEPAPVEPSYEAEPTPPTPTPDQPEPNKPVEPTYEVIPTPPTDPVYQDLPTPPSVPTVHFHYFKLAVQPQVNKEIRNNNDINIDRTLVAKQSVVKFQLKTADLPAGRDETTSFVLVDPLPSGYQFNPEATKAASPGFDVTYDNATNTVTFKATAATLATFNADLTKSVATIYPTVVGQVLNDGATYKNNFTLTVNDAYGIKSNVVRVTTPGKPNDPDNPNNNYIKPTKVNKNENGVVIDGKTVLAGSTNYYELTWDLDQYKNDRSSADTIQKGFYYVDDYPEEALELRQDLVKITDANGNEVTGVSVDNYTNLEAAPQEIRDVLSKAGIRPKGAFQIFRADNPREFYDTYVKTGIDLKIVSPMVVKKQMGQTGGSYENQAYQIDFGNGYASNIIINNVPKINPKKDVTLTLDPADTNNVDGQTIPLNTVFNYRLIGGIIPADHSEELFEYNFYDDYDQTGDHYTGQYKVFAKVDITFKDGSIIKSGAELTQYTTAEVDTAKGAITIKFKEAFLRSVSIDSAFQAESYIQMKRIAVGTFENTYINTVNGVTYSSNTVKTTTPEDPTDPTDPQDPSSPRTSTVINYKPQSTAYQPSSVQETLPNTGVTNNAYMPLLGIIGLVTSFSLLGLKAKKD
Organism_Source Streptococcus mutans serotype c (strain ATCC 700610 / UA159)
Functional_Classification adhesins
Cellular_Localization Extracellular
Gene_Names spaP
UniProt_ID P23504
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name p955
Peptide_Sequence NKPVEPTYEVIPTPPTDPVY
Peptide_Length 20
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2256.54
Aliphatic_Index 63.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 2.95000
Charge_at_pH_7 -2.00001
Isoelectric_Point 3.92755
Hydrogen_Bond_Acceptors 31
Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 845.64000
X_logP_energy -6.09150
Interaction Information
Affinity IC50=3.3 uM
Affinity_Assay ELISA
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Peptide Mapping of a Novel Discontinuous Epitope of the Major Surface Adhesin from Streptococcus mutans
Release_Year 2004
PMID 15060072
DOI 10.1074/jbc.M400820200