PPIRE15414
Target Protein Information
| Protein_Name | Apoptosis regulator BAX |
|---|---|
| Protein_Sequence | MDGSGEQPRGGGPTSSEQIMKTGALLLQGFIQDRAGRMGGEAPELALDPVPQDASTKKLSECLKRIGDELDSNMELQRMIAAVDTDSPREVFFRVAADMFSDGNFNWGRVVALFYFASKLVLKALCTKVPELIRTIMGWTLDFLRERLLGWIQDQGGWDGLLSYFGTPTWQTVTIFVAGVLTASLTIWKKMG |
| Organism_Source | Homo sapiens |
| Functional_Classification | Bcl 2 family proteins |
| Cellular_Localization | Cytoplasm |
| Gene_Names | BAX |
| UniProt_ID | Q07812 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | BaxBH3 |
|---|---|
| Peptide_Sequence | MRPEIWIAQELRRIGDEFNAYYARNMLSLSSGRA |
| Peptide_Length | 34 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)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](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCSC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=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](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](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 | 4015.58 |
|---|---|
| Aliphatic_Index | 80.58824 |
| Aromaticity | 0.11765 |
| Average_Rotatable_Bonds | 3.91176 |
| Charge_at_pH_7 | 1.00204 |
| Isoelectric_Point | 9.16939 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 54 |
| Number_of_Hydrogen_Bond_Donors | 62 |
| Topological_Polar_Surface_Area | 1719.74000 |
| X_logP_energy | -15.72995 |
Interaction Information
| Affinity | KD=150 uM |
|---|---|
| Affinity_Assay | NMR chemical shift perturbation |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | NMR studies of interactions between Bax and BH3 domain-containing peptides in the absence and presence of CHAPS |
| Release_Year | 2014 |
| PMID | 24434006 |
| DOI | 10.1016/j.abb.2014.01.003 |