PPIRE13712

Target Protein Information
Protein_Name Aprataxin and PNK-like factor
Protein_Sequence MSGGFELQPRDGGPRVALAPGETVIGRGPLLGITDKRVSRRHAILEVAGGQLRIKPIHTNPCFYQSSEKSQLLPLKPNLWCYLNPGDSFSLLVDKYIFRILSIPSEVEMQCTLRNSQVLDEDNILNETPKSPVINLPHETTGASQLEGSTEIAKTQMTPTNSVSFLGENRDCNKQQPILAERKRILPTWMLAEHLSDQNLSVPAISGGNVIQGSGKEEICKDKSQLNTTQQGRRQLISSGSSENTSAEQDTGEECKNTDQEESTISSKEMPQSFSAITLSNTEMNNIKTNAQRNKLPIEELGKVSKHKIATKRTPHKEDEAMSCSENCSSAQGDSLQDESQGSHSESSSNPSNPETLHAKATDSVLQGSEGNKVKRTSCMYGANCYRKNPVHFQHFSHPGDSDYGGVQIVGQDETDDRPECPYGPSCYRKNPQHKIEYRHNTLPVRNVLDEDNDNVGQPNEYDLNDSFLDDEEEDYEPTDEDSDWEPGKEDEEKEDVEELLKEAKRFMKRK
Organism_Source Homo sapiens
Functional_Classification forkhead-associated domains
Cellular_Localization Nucleus
Gene_Names APLF
UniProt_ID Q8IW19
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name XRCC1pSpT-24
Peptide_Sequence QEENGEDPYAGXXDENTDSEEHQE
Peptide_Length 24
Peptide_SMILES C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O
Chemical_Modification X12=phosphoserine; X13=phosphothreonine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Fitc-Gly-Gly
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2636.46
Aliphatic_Index 4.16667
Aromaticity 0.04167
Average_Rotatable_Bonds 3.70833
Charge_at_pH_7 -9.89819
Isoelectric_Point 3.32932
Number_of_Hydrogen_Bond_Acceptors 43
Number_of_Hydrogen_Bond_Donors 42
Topological_Polar_Surface_Area 1358.56000
X_logP_energy -20.35290
Interaction Information
Affinity KD=0.16 uM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Characterization of the APLF FHA-XRCC1 phosphopeptide interaction and its structural and functional implications.
Release_Year 2017
PMID 29059378
DOI 10.1093/nar/gkx941