PPIRE19068
Target Protein Information
| Protein_Name | Bcl-2-like protein 1 |
|---|---|
| Protein_Sequence | MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK |
| Organism_Source | Homo sapiens |
| Functional_Classification | Bcl 2 family |
| Cellular_Localization | Mitochondria |
| Gene_Names | BCL2L1 |
| UniProt_ID | Q07817 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Designed peptide 2 (high helix propensity) |
|---|---|
| Peptide_Sequence | DDYARELRMMADEFVR |
| Peptide_Length | 16 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)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 | 2017.26 |
|---|---|
| Aliphatic_Index | 55.00000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 4.25000 |
| Charge_at_pH_7 | -1.99799 |
| Isoelectric_Point | 4.22911 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 28 |
| Number_of_Hydrogen_Bond_Donors | 32 |
| Topological_Polar_Surface_Area | 892.25000 |
| X_logP_energy | -6.94709 |
Interaction Information
| Affinity | KD=203 nM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | 1G5J |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Rationale for Bcl-xL-鍌欒兌閸嬨劑宕曢幓鎺楁偨 peptide complex formation from structure mutagenesis and biophysical studies |
| Release_Year | 2000 |
| PMID | 11206074 |
| DOI | 10.1110/ps.9.12.2528 |