PPIRE11100
Target Protein Information
| Protein_Name | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 |
|---|---|
| Protein_Sequence | MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE |
| Organism_Source | Homo sapiens |
| Functional_Classification | prolyl isomerases |
| Cellular_Localization | Nucleus |
| Gene_Names | PIN1 |
| UniProt_ID | Q13526 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | tau peptide |
|---|---|
| Peptide_Sequence | KVSVVRXPPKSPS |
| Peptide_Length | 13 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)C(C)C |
| Chemical_Modification | X7=phosphothreonine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1337.59 |
|---|---|
| Aliphatic_Index | 66.92308 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.07692 |
| Charge_at_pH_7 | 2.99739 |
| Isoelectric_Point | 11.82306 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 20 |
| Number_of_Hydrogen_Bond_Donors | 19 |
| Topological_Polar_Surface_Area | 560.78000 |
| X_logP_energy | -7.16793 |
Interaction Information
| Affinity | KD=230 uM |
|---|---|
| Affinity_Assay | NMR titration |
| PDB_ID | 1I8H |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | 1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides. |
| Release_Year | 2001 |
| PMID | 11313338 |
| DOI | 10.1074/jbc.M010327200 |