PPIRE01760
Target Protein Information
| Protein_Name | Programmed cell death protein 1 |
|---|---|
| Protein_Sequence | MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL |
| Organism_Source | Homo sapiens |
| Functional_Classification | Immune-related protein |
| Cellular_Localization | Plasma membrane |
| Gene_Names | PDCD1 |
| UniProt_ID | Q15116 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | B5.6 |
|---|---|
| Peptide_Sequence | XVLVIVGAAWDYKY |
| Peptide_Length | 14 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C |
| Chemical_Modification | X1=L-norleucine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1553.82 |
|---|---|
| Aliphatic_Index | 132.14286 |
| Aromaticity | 0.21429 |
| Average_Rotatable_Bonds | 3.28571 |
| Charge_at_pH_7 | -0.00357 |
| Isoelectric_Point | 6.32401 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 19 |
| Number_of_Hydrogen_Bond_Donors | 20 |
| Topological_Polar_Surface_Area | 561.19000 |
| X_logP_energy | -0.71220 |
Interaction Information
| Affinity | IC50=0.2 uM |
|---|---|
| Affinity_Assay | TR-FRET assay |
| PDB_ID | 2M2D |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | In Search of Better Peptide-(Derived from PD-L2)-Based Immune Checkpoint Inhibitors. |
| Release_Year | 2024 |
| PMID | 38786004 |
| DOI | 10.3390/biom14050597 |