PPIRE17898
Target Protein Information
| Protein_Name | Induced myeloid leukemia cell differentiation protein Mcl-1 |
|---|---|
| Protein_Sequence | MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR |
| Organism_Source | Homo sapiens |
| Functional_Classification | Bcl 2 family |
| Cellular_Localization | Mitochondria |
| Gene_Names | MCL1 |
| UniProt_ID | Q07820 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | FITC-BID-WT |
|---|---|
| Peptide_Sequence | EDIIRNIARHLAQVGDSNLDRSIW |
| Peptide_Length | 24 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC)C(C)C |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | FITC |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 2792.11 |
|---|---|
| Aliphatic_Index | 117.91667 |
| Aromaticity | 0.04167 |
| Average_Rotatable_Bonds | 3.91667 |
| Charge_at_pH_7 | -0.90800 |
| Isoelectric_Point | 5.57022 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 38 |
| Number_of_Hydrogen_Bond_Donors | 45 |
| Topological_Polar_Surface_Area | 1281.72000 |
| X_logP_energy | -13.07809 |
Interaction Information
| Affinity | EC50=98 nM |
|---|---|
| Affinity_Assay | fluorescence anisotropy direct binding assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Hydrocarbon constrained peptides - understanding preorganisation and binding affinity |
| Release_Year | 2016 |
| PMID | 28970875 |
| DOI | 10.1039/c5sc04048e |