PPIPT00430

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 C-4
Peptide_Sequence CVAYCIEHHCWTC
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O
Chemical_Modification None
Cyclization_Method Multi-point cyclization; Cys1<->Cys13; disulfide bond; Cys5<->Cys10; disulfide bond
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1567.83
Aliphatic_Index 60.00000
Aromaticity 0.15385
Average_Rotatable_Bonds 3.38462
Charge_at_pH_7 -1.06717
Isoelectric_point 6.46647
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 24
Topological_Polar_Surface_Area 563.43000
X_logP_energy -3.49340
Interaction Information
Affinity KD=2.9 uM
Affinity_Assay Surface Plasmon Resonance
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