PPIPT00068

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 anti-apoptotic protein
Cellular_Localization Mitochondria
Gene_Names MCL1
UniProt_ID Q07820
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NoxaB(75-93)-C75A
Peptide_Sequence AAQLRRIGDKVNLRQKLLN
Peptide_Length 19
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(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2206.62
Aliphatic_Index 128.42105
Aromaticity 0.00000
Average_Rotatable_Bonds 4.21053
Charge_at_pH_7 3.99783
Isoelectric_point 12.24366
Hydrogen_Bond_Acceptors 30
Hydrogen_Bond_Donors 36
Topological_Polar_Surface_Area 1034.52000
X_logP_energy -10.51329
Interaction Information
Affinity IC50=1200 nM
Affinity_Assay Fluorescence Polarization
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title CROSS-LINKED PEPTIDES AND PROTEINS, METHODS OF MAKING SAME, AND USES THEREOF
Release_Year 2014
Patent_ID US20140057857A1