PPIRE00053

Target Protein Information
Protein_Name Aspartic proteinase 3
Protein_Sequence MKLKTVRSAVLSSLFASQVLGKIIPAANKRDDDSNSKFVKLPFHKLYGDSLENVGSDKKPEVRLLKRADGYEEIIITNQQSFYSVDLEVGTPPQNVTVLVDTGSSDLWIMGSDNPYCSSNSMGSSRRRVIDKRDDSSSGGSLINDINPFGWLTGTGSAIGPTATGLGGGSGTATQSVPASEATMDCQQYGTFSTSGSSTFRSNNTYFSISYGDGTFASGTFGTDVLDLSDLNVTGLSFAVANETNSTMGVLGIGLPELEVTYSGSTASHSGKAYKYDNFPIVLKNSGAIKSNTYSLYLNDSDAMHGTILFGAVDHSKYTGTLYTIPIVNTLSASGFSSPIQFDVTINGIGISDSGSSNKTLTTTKIPALLDSGTTLTYLPQTVVSMIATELGAQYSSRIGYYVLDCPSDDSMEIVFDFGGFHINAPLSSFILSTGTTCLLGIIPTSDDTGTILGDSFLTNAYVVYDLENLEISMAQARYNTTSENIEIITSSVPSAVKAPGYTNTWSTSASIVTGGNIFTVNSSQTASFSGNLTTSTASATSTSSKRNVGDHIVPSLPLTLISLLFAFI
Organism_Source Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
Functional_Classification Protease
Cellular_Localization Cytoplasm
Gene_Names YPS1
UniProt_ID P32329
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Peptide 2-34
Peptide_Sequence NTDQQKVSEIFQSSKEKLQGDAKVVSDAFKKXA
Peptide_Length 33
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)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](C)C(=O)O)C(C)C)C(C)C
Chemical_Modification X32=Norleucine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3612.01
Aliphatic_Index 59.09091
Aromaticity 0.06061
Average_Rotatable_Bonds 3.96970
Charge_at_pH_7 1.00110
Isoelectric_Point 9.27579
Number_of_Hydrogen_Bond_Acceptors 55
Number_of_Hydrogen_Bond_Donors 55
Topological_Polar_Surface_Area 1653.74000
X_logP_energy -21.00490
Interaction Information
Affinity IC50=7.4 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix.
Release_Year 2000
PMID 10655612
DOI 10.1038/72378