PPIRE12199
Target Protein Information
| Protein_Name | Bcl-2-like protein 1 |
|---|---|
| Protein_Sequence | MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK |
| Organism_Source | Homo sapiens |
| Functional_Classification | Bcl-2 family |
| Cellular_Localization | Mitochondrion |
| Gene_Names | BCL2L1 |
| UniProt_ID | Q07817 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Bcl-xL BH3 peptide |
|---|---|
| Peptide_Sequence | AAVKQALREAGDEFEL |
| Peptide_Length | 16 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(=O)O |
| 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 | 1746.94 |
|---|---|
| Aliphatic_Index | 91.87500 |
| Aromaticity | 0.06250 |
| Average_Rotatable_Bonds | 3.75000 |
| Charge_at_pH_7 | -1.99654 |
| Isoelectric_Point | 4.14755 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 24 |
| Number_of_Hydrogen_Bond_Donors | 26 |
| Topological_Polar_Surface_Area | 780.03000 |
| X_logP_energy | -6.90093 |
Interaction Information
| Affinity | KD=325 uM |
|---|---|
| Affinity_Assay | fluorescence spectroscopy |
| PDB_ID | 1BXL |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure of Bcl-xL-Bak peptide complex: recognition between regulators of apoptosis. |
| Release_Year | 1997 |
| PMID | 9020082 |
| DOI | 10.1126/science.275.5302.983 |