PPIRE11883
Target Protein Information
| Protein_Name | Peptidyl-prolyl cis-trans isomerase FKBP5 |
|---|---|
| Protein_Sequence | MTTDEGAKNNEESPTATVAEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGSLPKIPSNATLFFEIELLDFKGEDLFEDGGIIRRTKRKGEGYSNPNEGATVEIHLEGRCGGRMFDCRDVAFTVGEGEDHDIPIGIDKALEKMQREEQCILYLGPRYGFGEAGKPKFGIEPNAELIYEVTLKSFEKAKESWEMDTKEKLEQAAIVKEKGTVYFKGGKYMQAVIQYGKIVSWLEMEYGLSEKESKASESFLLAAFLNLAMCYLKLREYTKAVECCDKALGLDSANEKGLYRRGEAQLLMNEFESAKGDFEKVLEVNPQNKAARLQISMCQKKAKEHNERDRRIYANMFKKFAEQDAKEEANKAMGKKTSEGVTNEKGTDSQAMEEEKPEGHV |
| Organism_Source | Homo sapiens |
| Functional_Classification | peptidyl-prolyl cis/trans isomerases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | FKBP5 |
| UniProt_ID | Q13451 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | C90 |
|---|---|
| Peptide_Sequence | HHHHHHDTSRMEEVD |
| Peptide_Length | 15 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)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 | |
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Peptide Physicochemical
| Molecular_Weight | 1903.97 |
|---|---|
| Aliphatic_Index | 19.33333 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 4.06667 |
| Charge_at_pH_7 | -2.45212 |
| Isoelectric_Point | 6.50180 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 30 |
| Number_of_Hydrogen_Bond_Donors | 31 |
| Topological_Polar_Surface_Area | 894.36000 |
| X_logP_energy | -10.29523 |
Interaction Information
| Affinity | KD=70 uM |
|---|---|
| Affinity_Assay | differential scanning fluorimetry |
| PDB_ID | 5NJX |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Combined x-ray crystallography and computational modeling approach to investigate the Hsp90 C-terminal peptide binding to FKBP51. |
| Release_Year | 2017 |
| PMID | 29079741 |
| DOI | 10.1038/s41598-017-14731-z |