PPIRE03658

Target Protein Information
Protein_Name CD2 antigen cytoplasmic tail-binding protein 2
Protein_Sequence MPKRKVTFQGVGDEEDEDEIIVPKKKLVDPVAGSGGPGSRFKGKHSLDSDEEEDDDDGGSSKYDILASEDVEGQEAATLPSEGGVRITPFNLQEEMEEGHFDADGNYFLNRDAQIRDSWLDNIDWVKIRERPPGQRQASDSEEEDSLGQTSMSAQALLEGLLELLLPRETVAGALRRLGARGGGKGRKGPGQPSSPQRLDRLSGLADQMVARGNLGVYQETRERLAMRLKGLGCQTLGPHNPTPPPSLDMFAEELAEEELETPTPTQRGEAESRGDGLVDVMWEYKWENTGDAELYGPFTSAQMQTWVSEGYFPDGVYCRKLDPPGGQFYNSKRIDFDLYT
Organism_Source Homo sapiens
Functional_Classification E3 ubiquitin ligase adaptors
Cellular_Localization Cytoplasm
Gene_Names CD2BP2
UniProt_ID O95400
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name None
Peptide_Sequence GRSKESGWVENEIYY
Peptide_Length 15
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1816.94
Aliphatic_Index 45.33333
Aromaticity 0.20000
Average_Rotatable_Bonds 3.93333
Charge_at_pH_7 -0.99869
Isoelectric_Point 4.47943
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 29
Topological_Polar_Surface_Area 810.34000
X_logP_energy -7.38233
Interaction Information
Affinity KD=191 uM
Affinity_Assay NMR chemical shift perturbation
PDB_ID 1L2Z
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Development of QSAR-Improved Statistical Potential for the Structure-Based Analysis of Protein?Peptide Binding Affinities.
Release_Year 2013
PMID 27480231
DOI 10.1002/minf.201300064