PPIRE14498
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 | Mitochondrion |
| Gene_Names | MCL1 |
| UniProt_ID | Q07820 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | BID-BH3(35-mer) |
|---|---|
| Peptide_Sequence | GPLGSESQEDIIRNIARHLAQVGDSMDRSIPPGLV |
| Peptide_Length | 35 |
| 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](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CN)[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](CCSC)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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)CC)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 | 3729.18 |
|---|---|
| Aliphatic_Index | 100.28571 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.51429 |
| Charge_at_pH_7 | -1.90623 |
| Isoelectric_Point | 4.62929 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 53 |
| Number_of_Hydrogen_Bond_Donors | 55 |
| Topological_Polar_Surface_Area | 1637.42000 |
| X_logP_energy | -19.36179 |
Interaction Information
| Affinity | KD=85 nM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Apoptotic regulation by MCL-1 through heterodimerization. |
| Release_Year | 2010 |
| PMID | 20392693 |
| DOI | 10.1074/jbc.M110.105452 |