PPIRE13471

Target Protein Information
Protein_Name Heat shock 70 kDa protein 1A
Protein_Sequence MAKAAAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVALNPQNTVFDAKRLIGRKFGDPVVQSDMKHWPFQVINDGDKPKVQVSYKGETKAFYPEEISSMVLTKMKEIAEAYLGYPVTNAVITVPAYFNDSQRQATKDAGVIAGLNVLRIINEPTAAAIAYGLDRTGKGERNVLIFDLGGGTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNALESYAFNMKSAVEDEGLKGKISEADKKKVLDKCQEVISWLDANTLAEKDEFEHKRKELEQVCNPIISGLYQGAGGPGPGGFGAQGPKGGSGSGPTIEEVD
Organism_Source Homo sapiens
Functional_Classification molecular chaperones
Cellular_Localization Cytoplasm
Gene_Names HSPA1A
UniProt_ID P0DMV8
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name J1-L2-Trp2
Peptide_Sequence NLLRLTGWFFRKSVYDFFVWL
Peptide_Length 21
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(C)C)C(C)C)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 2708.20
Aliphatic_Index 101.90476
Aromaticity 0.33333
Average_Rotatable_Bonds 3.95238
Charge_at_pH_7 1.99728
Isoelectric_Point 10.44646
Hydrogen_Bond_Acceptors 30
Hydrogen_Bond_Donors 36
Topological_Polar_Surface_Area 967.80000
X_logP_energy -1.03206
Interaction Information
Affinity KD=1.2 uM
Affinity_Assay fluorescence competition assay
PDB_ID None
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title High-affinity interactions between peptides and heat shock protein 70 augment CD8+ T lymphocyte immune responses.
Release_Year 2006
PMID 16818758
DOI 10.4049/jimmunol.177.2.1017