PPIRE13854

Target Protein Information
Protein_Name Apoptosis regulator Bcl-2 homolog
Protein_Sequence MEGEELIYHNIINEILVGYIKYYINDISEHELSPYQQQIKKILTYYDECLNKQVTITFSLTSVQEIKTQFTGVVTELFKDLINWGRICGFIVFSAKMAKYCKDANNHLESTVITTAYNFMKHNLLPWMISHGGQEEFLAFSLHSDMYSVIFNIKYFLSKFCNHMFFRSCVQLLRNCNLI
Organism_Source African swine fever virus (strain Badajoz 1971 Vero-adapted)
Functional_Classification Bcl-2 family
Cellular_Localization Mitochondrion
Gene_Names None
UniProt_ID P42485
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name ss_Puma
Peptide_Sequence EEQWAREIGAQLRRMADDLNALYERR
Peptide_Length 26
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3190.54
Aliphatic_Index 75.38462
Aromaticity 0.07692
Average_Rotatable_Bonds 4.23077
Charge_at_pH_7 -0.99489
Isoelectric_Point 4.77279
Number_of_Hydrogen_Bond_Acceptors 43
Number_of_Hydrogen_Bond_Donors 53
Topological_Polar_Surface_Area 1489.41000
X_logP_energy -14.02955
Interaction Information
Affinity KD=31 nM
Affinity_Assay Isothermal titration calorimetry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Structural Insight into African Swine Fever Virus A179L-Mediated Inhibition of Apoptosis.
Release_Year 2017
PMID 28053104
DOI 10.1128/JVI.02228-16