PPIPT00432

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 B-2
Peptide_Sequence CVFAHNYDYLVC
Peptide_Length 12
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method Side chain cyclization; Cys1<->Cys12; disulfide bond
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1446.66
Aliphatic_Index 89.16667
Aromaticity 0.25000
Average_Rotatable_Bonds 3.41667
Charge_at_pH_7 -1.03631
Isoelectric_point 5.28741
Number_of_Hydrogen_Bond_Acceptors 20
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 532.95000
X_logP_energy -2.57610
Interaction Information
Affinity IC50=1 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