PPIPT00431

Target Protein Information
Protein_Name Plasma kallikrein
Protein_Sequence MILFKQATYFISLFATVSCGCLTQLYENAFFRGGDVASMYTPNAQYCQMRCTFHPRCLLFSFLPASSINDMEKRFGCFLKDSVTGTLPKVHRTGAVSGHSLKQCGHQISACHRDIYKGVDMRGVNFNVSKVSSVEECQKRCTSNIRCQFFSYATQTFHKAEYRNNCLLKYSPGGTPTAIKVLSNVESGFSLKPCALSEIGCHMNIFQHLAFSDVDVARVLTPDAFVCRTICTYHPNCLFFTFYTNVWKIESQRNVCLLKTSESGTPSSSTPQENTISGYSLLTCKRTLPEPCHSKIYPGVDFGGEELNVTFVKGVNVCQETCTKMIRCQFFTYSLLPEDCKEEKCKCFLRLSMDGSPTRIAYGTQGSSGYSLRLCNTGDNSVCTTKTSTRIVGGTNSSWGEWPWQVSLQVKLTAQRHLCGGSLIGHQWVLTAAHCFDGLPLQDVWRIYSGILNLSDITKDTPFSQIKEIIIHQNYKVSEGNHDIALIKLQAPLNYTEFQKPICLPSKGDTSTIYTNCWVTGWGFSKEKGEIQNILQKVNIPLVTNEECQKRYQDYKITQRMVCAGYKEGGKDACKGDSGGPLVCKHNGMWRLVGITSWGEGCARREQPGVYTKVAEYMDWILEKTQSSDGKAQMQSPA
Organism_Source Homo sapiens
Functional_Classification Serine protease
Cellular_Localization Extracellular
Gene_Names KLKB1
UniProt_ID P03952
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name A-1
Peptide_Sequence CVFTSDYAFC
Peptide_Length 10
Peptide_SMILES CC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method Side chain cyclization; Cys1<->Cys10; disulfide bond
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1155.31
Aliphatic_Index 39.00000
Aromaticity 0.30000
Average_Rotatable_Bonds 3.20000
Charge_at_pH_7 -1.12637
Isoelectric_point 3.74996
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 17
Topological_Polar_Surface_Area 423.21000
X_logP_energy -3.42150
Interaction Information
Affinity IC50=3.3 nM
Affinity_Assay competition binding assay (IFMA)
PDB_ID None
Type Allosteric modulator
Structure
Reference Information
Document_Type Patent
Title PEPTIDE LIGANDS FOR PROSTATE SPECIFIC ANTIGEN
Release_Year 2008
Patent_ID US20080312141A1