PPIPT00651
Target Protein Information
| Protein_Name | T-cell surface glycoprotein CD3 epsilon chain |
|---|---|
| Protein_Sequence | MQSGTHWRVLGLCLLSVGVWGQDGNEEMGGITQTPYKVSISGTTVILTCPQYPGSEILWQHNDKNIGGDEDDKNIGSDEDHLSLKEFSELEQSGYYVCYPRGSKPEDANFYLYLRARVCENCMEMDVMSVATIVIVDICITGGLLLLVYYWSKNRKAKAKPVTRGAGAGGRQRGQNKERPPPVPNPDYEPIRKGQRDLYSGLNQRRI |
| Organism_Source | Homo sapiens |
| Functional_Classification | T-cell co-receptor complex subunit |
| Cellular_Localization | Plasma membrane |
| Gene_Names | CD3E |
| UniProt_ID | P07766 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | aCD3-04-002 |
|---|---|
| Peptide_Sequence | ACTRPDDPQC |
| Peptide_Length | 10 |
| Peptide_SMILES | C[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C2<->C10; disulfide bond |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1105.21 |
|---|---|
| Aliphatic_Index | 10.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.10000 |
| Charge_at_pH_7 | -1.12508 |
| Isoelectric_point | 4.10920 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 18 |
| Number_of_Hydrogen_Bond_Donors | 18 |
| Topological_Polar_Surface_Area | 507.46000 |
| X_logP_energy | -7.48763 |
Interaction Information
| Affinity | KD=78 nM |
|---|---|
| Affinity_Assay | ELISA |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Patent |
|---|---|
| Title | PEPTIDE MIMOTOPES OF THE CD3 T-CELL CO-RECEPTOR EPSILON CHAIN AND USES THEREOF |
| Release_Year | 2019 |
| Patent_ID | US20190070248A1 |