PPIRE16848

Target Protein Information
Protein_Name Transforming growth factor beta-1 proprotein
Protein_Sequence MPPSGLRLLPLLLPLLWLLVLTPGRPAAGLSTCKTIDMELVKRKRIEAIRGQILSKLRLASPPSQGEVPPGPLPEAVLALYNSTRDRVAGESAEPEPEPEADYYAKEVTRVLMVETHNEIYDKFKQSTHSIYMFFNTSELREAVPEPVLLSRAELRLLRLKLKVEQHVELYQKYSNNSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLSRGGEIEGFRLSAHCSCDSRDNTLQVDINGFTTGRRGDLATIHGMNRPFLLLMATPLERAQHLQSSRHRRALDTNYCFSSTEKNCCVRQLYIDFRKDLGWKWIHEPKGYHANFCLGPCPYIWSLDTQYSKVLALYNQHNPGASAAPCCVPQALEPLPIVYYVGRKPKVEQLSNMIVRSCKCS
Organism_Source Homo sapiens
Functional_Classification TGF u family growth factor
Cellular_Localization Extracellular
Gene_Names TGFB1
UniProt_ID P01137
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CEH-peptide
Peptide_Sequence CIAEIDLIPRDRPFVMAPSSKTGSVTTTYC
Peptide_Length 30
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; C1<-->C30; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3272.80
Aliphatic_Index 78.00000
Aromaticity 0.06667
Average_Rotatable_Bonds 3.36667
Charge_at_pH_7 -0.12445
Isoelectric_Point 6.28034
Number_of_Hydrogen_Bond_Acceptors 48
Number_of_Hydrogen_Bond_Donors 48
Topological_Polar_Surface_Area 1304.41000
X_logP_energy -14.08276
Interaction Information
Affinity KD=76 uM
Affinity_Assay Fluorescence Polarization
PDB_ID 3KFD
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Rational derivation extension and cyclization of self-inhibitory peptides to target TGF-u/BMP signaling in ONFH
Release_Year 2016
PMID 27826791
DOI 10.1007/s00726-016-2358-1