PPIRE13893

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_Bak
Peptide_Sequence PSSTMGQVGRQLAIIGDDINRRYDSE
Peptide_Length 26
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)CC)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2879.15
Aliphatic_Index 75.00000
Aromaticity 0.03846
Average_Rotatable_Bonds 3.76923
Charge_at_pH_7 -0.99976
Isoelectric_Point 4.49931
Number_of_Hydrogen_Bond_Acceptors 43
Number_of_Hydrogen_Bond_Donors 48
Topological_Polar_Surface_Area 1342.15000
X_logP_energy -17.75829
Interaction Information
Affinity KD=29 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