PPIRE13235

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(852-871)
Peptide_Sequence LDAQYLQNTFKVSKRQSFAP
Peptide_Length 20
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)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(C)C)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 2341.65
Aliphatic_Index 63.50000
Aromaticity 0.15000
Average_Rotatable_Bonds 3.85000
Charge_at_pH_7 1.99699
Isoelectric_Point 10.24366
Number_of_Hydrogen_Bond_Acceptors 33
Number_of_Hydrogen_Bond_Donors 34
Topological_Polar_Surface_Area 1011.95000
X_logP_energy -10.62933
Interaction Information
Affinity Ka=7.22E+05 1/M
Affinity_Assay fluorescence spectroscopy
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications.
Release_Year 2019
PMID None
DOI 10.1007/s10989-019-09821-7