PPIRE14092

Target Protein Information
Protein_Name Induced myeloid leukemia cell differentiation protein Mcl-1
Protein_Sequence MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR
Organism_Source Homo sapiens
Functional_Classification antiapoptotic Bcl-2 family
Cellular_Localization Mitochondrion
Gene_Names MCL1
UniProt_ID Q07820
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Bad BH3 peptide
Peptide_Sequence PNLWAAQRYGELRRMSDEFVDSFKKGLP
Peptide_Length 28
Peptide_SMILES CSCC[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)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CO)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](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3311.77
Aliphatic_Index 59.28571
Aromaticity 0.14286
Average_Rotatable_Bonds 3.89286
Charge_at_pH_7 1.00098
Isoelectric_Point 9.25370
Number_of_Hydrogen_Bond_Acceptors 44
Number_of_Hydrogen_Bond_Donors 49
Topological_Polar_Surface_Area 1375.84000
X_logP_energy -11.72119
Interaction Information
Affinity IC50=10000 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Release_Year 2010
PMID 20066663
DOI 10.1002/pro.329