PPIRE12988

Target Protein Information
Protein_Name Proliferating cell nuclear antigen
Protein_Sequence MFEARLVQGSILKKVLEALKDLINEACWDISSSGVNLQSMDSSHVSLVQLTLRSEGFDTYRCDRNLAMGVNLTSMSKILKCAGNEDIITLRAEDNADTLALVFEAPNQEKVSDYEMKLMDLDVEQLGIPEQEYSCVVKMPSGEFARICRDLSHIGDAVVISCAKDGVKFSASGELGNGNIKLSQTSNVDKEEEAVTIEMNEPVQLTFALRYLNFFTKATPLSSTVTLSMSADVPLVVEYKIADMGHLKYYLAPKIEDEEGS
Organism_Source Homo sapiens
Functional_Classification DNA sliding clamp
Cellular_Localization Nucleus
Gene_Names PCNA
UniProt_ID P12004
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name DVC1PIP YP7YP8 mutant
Peptide_Sequence KRRSNSHQNVLSNYYPRVS
Peptide_Length 19
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2305.54
Aliphatic_Index 51.05263
Aromaticity 0.10526
Average_Rotatable_Bonds 3.94737
Charge_at_pH_7 4.08689
Isoelectric_Point 11.47307
Number_of_Hydrogen_Bond_Acceptors 35
Number_of_Hydrogen_Bond_Donors 40
Topological_Polar_Surface_Area 1112.47000
X_logP_energy -15.36889
Interaction Information
Affinity KD=21.95 mM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 5IY4
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Crystal structure of human PCNA in complex with the PIP box of DVC1.
Release_Year 2016
PMID 27084448
DOI 10.1016/j.bbrc.2016.04.053