PPIRE10209
Target Protein Information
| Protein_Name | Chaperone protein DnaK |
|---|---|
| Protein_Sequence | MGKIIGIDLGTTNSCVAIMDGTTPRVLENAEGDRTTPSIIAYTQDGETLVGQPAKRQAVTNPQNTLFAIKRLIGRRFQDEEVQRDVSIMPFKIIAADNGDAWVEVKGQKMAPPQISAEVLKKMKKTAEDYLGEPVTEAVITVPAYFNDAQRQATKDAGRIAGLEVKRIINEPTAAALAYGLDKGTGNRTIAVYDLGGGTFDISIIEIDEVDGEKTFEVLATNGDTHLGGEDFDSRLINYLVEEFKKDQGIDLRNDPLAMQRLKEAAEKAKIELSSAQQTDVNLPYITADATGPKHMNIKVTRAKLESLVEDLVNRSIEPLKVALQDAGLSVSDIDDVILVGGQTRMPMVQKKVAEFFGKEPRKDVNPDEAVAIGAAVQGGVLTGDVKDVLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSTAEDNQSAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIAQQQHAQQQTAGADASANNAKDDDVVDAEFEEVKDKK |
| Organism_Source | Escherichia coli O157:H7 |
| Functional_Classification | molecular chaperones |
| Cellular_Localization | Cytoplasm |
| Gene_Names | dnaK |
| UniProt_ID | P0A6Z0 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | short peptide |
|---|---|
| Peptide_Sequence | VDKLYXLPRPT |
| Peptide_Length | 11 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O |
| Chemical_Modification | X6=D-cyclohexylalanine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 1258.48 |
|---|---|
| Aliphatic_Index | 97.27273 |
| Aromaticity | 0.09091 |
| Average_Rotatable_Bonds | 3.36364 |
| Charge_at_pH_7 | 0.99728 |
| Isoelectric_Point | 9.29736 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 17 |
| Number_of_Hydrogen_Bond_Donors | 17 |
| Topological_Polar_Surface_Area | 502.42000 |
| X_logP_energy | -3.16563 |
Interaction Information
| Affinity | KD=5.5 nM |
|---|---|
| Affinity_Assay | fluorescence-dependent competition assay |
| PDB_ID | 3DPO |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Allosteric coupling between the lid and interdomain linker in DnaK revealed by inhibitor binding studies. |
| Release_Year | 2009 |
| PMID | 19103929 |
| DOI | 10.1128/JB.01131-08 |