PPIRE03654
Target Protein Information
| Protein_Name | Heat shock 70 kDa protein 1A |
|---|---|
| Protein_Sequence | MAKAAAIGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVALNPQNTVFDAKRLIGRKFGDPVVQSDMKHWPFQVINDGDKPKVQVSYKGETKAFYPEEISSMVLTKMKEIAEAYLGYPVTNAVITVPAYFNDSQRQATKDAGVIAGLNVLRIINEPTAAAIAYGLDRTGKGERNVLIFDLGGGTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNALESYAFNMKSAVEDEGLKGKISEADKKKVLDKCQEVISWLDANTLAEKDEFEHKRKELEQVCNPIISGLYQGAGGPGPGGFGAQGPKGGSGSGPTIEEVD |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Cytoplasm |
| Gene_Names | HSPA1A |
| UniProt_ID | P0DMV8 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | None |
|---|---|
| Peptide_Sequence | NRLLLTG |
| Peptide_Length | 7 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 785.94 |
|---|---|
| Aliphatic_Index | 167.14286 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.71429 |
| Charge_at_pH_7 | 0.99798 |
| Isoelectric_Point | 10.55000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 13 |
| Topological_Polar_Surface_Area | 363.14000 |
| X_logP_energy | -3.40373 |
Interaction Information
| Affinity | KD=600 uM |
|---|---|
| Affinity_Assay | NMR chemical shift perturbation |
| PDB_ID | 1Q5L |
| 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 |