PPIRE13857

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(846-871)
Peptide_Sequence EMEESELDAQYLQNTFKVSKRQSFAP
Peptide_Length 26
Peptide_SMILES CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](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 3076.38
Aliphatic_Index 48.84615
Aromaticity 0.11538
Average_Rotatable_Bonds 4.03846
Charge_at_pH_7 -1.99591
Isoelectric_Point 4.29949
Number_of_Hydrogen_Bond_Acceptors 45
Number_of_Hydrogen_Bond_Donors 45
Topological_Polar_Surface_Area 1355.98000
X_logP_energy -14.51593
Interaction Information
Affinity Ka=4.01E+05 1/M
Affinity_Assay fluorescence spectroscopy
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Sequence-based design and discovery of peptide inhibitors of HIV-1 integrase: insight into the binding mode of the enzyme.
Release_Year 2019
PMID None
DOI 10.1007/s10989-019-09821-7