PPIRE11936

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(857-871)
Peptide_Sequence LQNTFKVSKRQSFAP
Peptide_Length 15
Peptide_SMILES CC(C)C[C@H](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 1751.02
Aliphatic_Index 52.00000
Aromaticity 0.13333
Average_Rotatable_Bonds 3.86667
Charge_at_pH_7 2.99739
Isoelectric_Point 11.82306
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 765.83000
X_logP_energy -8.80783
Interaction Information
Affinity Ka=6.19E+03 1/M
Affinity_Assay fluorescence spectroscopy
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Identification, Characterization, and Optimization of Integrin alphavbeta?-Targeting Peptides from a One-Bead One-Compound (OBOC)Library: Towards the Development of Positron Emission Tomography (PET)Imaging Agents.
Release_Year 2019
PMID None
DOI 10.1007/s10989-019-09821-7