PPIRE12198

Target Protein Information
Protein_Name DNA repair and recombination protein RadA
Protein_Sequence MAGEEVKEIDEFEELGFEPATEETPKKKKKEKIIRSIEDLPGVGPATAEKLREAGYDTLEAIAVASPIELKEVAGISEGTALKIIQAARKAANLGTFMRADEYLKKRATIGRISTGSKSLDKLLGGGIETQAITEVFGEFGSGKTQLAHTLAVMVQLPPEEGGLNGSVIWIDTENTFRPERIREIAQNRGLDPDEVLKHIYVARAFNSNHQMLLVQQAEDKIKELLNTDRPVKLLIVDSLTSHFRSEYIGRGALAERQQKLAKHLADLHRLANLYDIAVFVTNQVQARPDAFFGDPTRPIGGHILAHSATLRVYLRKGKGGKRIARLIDAPHLPEGEAVFSITEKGIED
Organism_Source Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1)
Functional_Classification recombinase
Cellular_Localization Cytoplasm
Gene_Names radA
UniProt_ID O74036
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name RadA N-terminal oligomerisation peptide
Peptide_Sequence NLGTFMRADEYLKKR
Peptide_Length 15
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)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 1842.15
Aliphatic_Index 58.66667
Aromaticity 0.13333
Average_Rotatable_Bonds 4.26667
Charge_at_pH_7 1.99876
Isoelectric_Point 10.23977
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 804.71000
X_logP_energy -6.74666
Interaction Information
Affinity KD=3.3 mM
Affinity_Assay Isothermal titration calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Using a fragment-based approach to target protein-protein interactions.
Release_Year 2013
PMID 23344974
DOI 10.1002/cbic.201200521