PPIRE02174

Target Protein Information
Protein_Name Tryptase alpha/beta-1
Protein_Sequence MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVNVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKKP
Organism_Source Homo sapiens
Functional_Classification Enzyme
Cellular_Localization Extracellular
Gene_Names TPSAB1
UniProt_ID Q15661
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name rLDTI
Peptide_Sequence KKVCACPKILKPVCGSDGRTYANSCIARCNGVSIKSEGSCPTGILN
Peptide_Length 46
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)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 4743.59
Aliphatic_Index 76.30435
Aromaticity 0.02174
Average_Rotatable_Bonds 3.41304
Charge_at_pH_7 4.62603
Isoelectric_Point 8.87803
Number_of_Hydrogen_Bond_Acceptors 73
Number_of_Hydrogen_Bond_Donors 74
Topological_Polar_Surface_Area 1966.06000
X_logP_energy -26.41836
Interaction Information
Affinity Ki=1.4 nM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID 1LDT
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title The three-dimensional structure of recombinant leech-derived tryptase inhibitor in complex with trypsin. Implications for the structure of human mast cell tryptase and its inhibition.
Release_Year 1997
PMID 9242660
DOI 10.1074/jbc.272.32.19931