PPIRE12793

Target Protein Information
Protein_Name DNA repair protein RAD51 homolog 1
Protein_Sequence MAMQMQLEANADTSVEEESFGPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAKADKILAEAAKLVPMGFTTATEFHQRRSEIIQITTGSKELDKLLQGGIETGSITEMFGEFRTGKTQICHTLAVTCQLPIDRGGGEGKAMYIDTEGTFRPERLLAVAERYGLSGSDVLDNVAYARAFNTDHQTQLLYQASAMMVESRYALLIVDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVVAQVDGAAMFAADPKKPIGGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDAKD
Organism_Source Homo sapiens
Functional_Classification recombinase
Cellular_Localization Nucleus
Gene_Names RAD51
UniProt_ID Q06609
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name BRCA1(854-871)
Peptide_Sequence AQYLQNTFKVSKRQSFAP
Peptide_Length 18
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2113.40
Aliphatic_Index 48.88889
Aromaticity 0.16667
Average_Rotatable_Bonds 3.83333
Charge_at_pH_7 2.99654
Isoelectric_Point 10.90181
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 31
Topological_Polar_Surface_Area 916.45000
X_logP_energy -10.11973
Interaction Information
Affinity KD=126.44 uM
Affinity_Assay MicroScale Thermophoresis
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Altered peptide ligands revisited: vaccine design through chemically modified HLA-A2-restricted T cell epitopes.
Release_Year 2019
PMID None
DOI 10.1007/s10989-019-09821-7