PPIRE19318

Target Protein Information
Protein_Name H-2 class I histocompatibility antigen D-D alpha chain
Protein_Sequence MGAMAPRTLLLLLAAALGPTQTRAGSHSLRYFVTAVSRPGFGEPRYMEVGYVDNTEFVRFDSDAENPRYEPRARWIEQEGPEYWERETRRAKGNEQSFRVDLRTALRYYNQSAGGSHTLQWMAGCDVESDGRLLRGYWQFAYDGCDYIALNEDLKTWTAADMAAQITRRKWEQAGAAERDRAYLEGECVEWLRRYLKNGNATLLRTDPPKAHVTHHRRPEGDVTLRCWALGFYPADITLTWQLNGEELTQEMELVETRPAGDGTFQKWASVVVPLGKEQKYTCHVEHEGLPEPLTLRWGKEEPPSSTKTNTVIIAVPVVLGAVVILGAVMAFVMKRRRNTGGKGGDYALAPGSQSSDMSLPDCKV
Organism_Source Mus musculus
Functional_Classification MHC class1
Cellular_Localization Plasma membrane
Gene_Names H2-D1
UniProt_ID P01900
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name GP33 Alpha/Beta-peptide 8
Peptide_Sequence KXAVYNFXTM
Peptide_Length 10
Peptide_SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)O
Chemical_Modification X2=Beta3-homoalanine; X8=Beta3-homoalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1087.26
Aliphatic_Index 39.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.40000
Charge_at_pH_7 0.99684
Isoelectric_Point 9.29830
Hydrogen_Bond_Acceptors 16
Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 434.79000
X_logP_energy -3.97050
Interaction Information
Affinity IC50=124 nM
Affinity_Assay Competition binding assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Consequences of Periodic Alpha-to-Beta3 Residue Replacement for Immunological Recognition of Peptide Epitopes
Release_Year 2014
PMID 25559929
DOI 10.1021/cb500888q