PPIRE09812

Target Protein Information
Protein_Name Chymotrypsin-C
Protein_Sequence MLGITVFTTFLAYASSCGAPIFQPNLSARVVGGEDAIPHSWPWQISLQYLRDNTWRHTCGGTLITPNHVLTAAHCISNTLTYRVALGKNNLEVEDEAGSLYVGVDTIFVHEKWNSFLVRNDIALIKLAETVELSDTIQVACLPEEGSLLPQDYPCFVTGWGRLYTNGPIAAELQQGLQPVVDYATCSQRDWWGTTVKETMVCAGGDGVISACNGDSGGPLNCQAENGNWDVRGIVSFGSGLSCNTFKKPTVFTRVSAYIDWINQKLQL
Organism_Source Bos taurus
Functional_Classification serine proteases
Cellular_Localization Extracellular
Gene_Names CTRC
UniProt_ID Q7M3E1
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Largamide D
Peptide_Sequence VXTXLTVAXX
Peptide_Length 10
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)O)C(C)C)[C@@H](C)O
Chemical_Modification X2=N-methyl-6-bromotyrosine; X4=3-amino-6-hydroxy-2-piperidone acid; X9=2-amino-5-(4'-hydroxyphenyl)pentanoic acid; X10=glyceric acid
Cyclization_Method Main chain-side chain cyclization; T6<->V1; other bonds
Linear/Cyclic Cyclic
N-terminal_Modification Glyceric Acid
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 830.94
Aliphatic_Index 107.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 2.50000
Charge_at_pH_7 -0.00202
Isoelectric_Point 6.10000
Number_of_Hydrogen_Bond_Acceptors 13
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 365.68000
X_logP_energy -5.57330
Interaction Information
Affinity IC50=10 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Largamides A-H, unusual cyclic peptides from the marine cyanobacterium Oscillatoria sp.
Release_Year 2006
PMID 16930043
DOI 10.1021/jo061044e