PPIRE11225

Target Protein Information
Protein_Name Sonic hedgehog protein
Protein_Sequence MLLLARCLLLVLVSSLLVCSGLACGPGRGFGKRRHPKKLTPLAYKQFIPNVAEKTLGASGRYEGKISRNSERFKELTPNYNPDIIFKDEENTGADRLMTQRCKDKLNALAISVMNQWPGVKLRVTEGWDEDGHHSEESLHYEGRAVDITTSDRDRSKYGMLARLAVEAGFDWVYYESKAHIHCSVKAENSVAAKSGGCFPGSATVHLEQGGTKLVKDLSPGDRVLAADDQGRLLYSDFLTFLDRDDGAKKVFYVIETREPRERLLLTAAHLLFVAPHNDSATGEPEASSGSGPPSGGALGPRALFASRVRPGQRVYVVAERDGDRRLLPAAVHSVTLSEEAAGAYAPLTAQGTILINRVLASCYAVIEEHSWAHRAFAPFRLAHALLAALAPARTDRGGDSGGGDRGGGGGRVALTAPGAADAPGAGATAGIHWYSQLLYQIGTWLLDSEALHPLGMAVKSS
Organism_Source Homo sapiens
Functional_Classification growth factors
Cellular_Localization Extracellular
Gene_Names SHH
UniProt_ID Q15465
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HL2-pep
Peptide_Sequence TLDDMEEMDGLSD
Peptide_Length 13
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1470.54
Aliphatic_Index 60.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.92308
Charge_at_pH_7 -5.99668
Isoelectric_Point 3.11605
Number_of_Hydrogen_Bond_Acceptors 24
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 676.78000
X_logP_energy -7.55280
Interaction Information
Affinity KD=20 uM
Affinity_Assay ELISA
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Design and Evolution of a Macrocyclic Peptide Inhibitor of the Sonic Hedgehog/Patched Interaction.
Release_Year 2017
PMID 28759213
DOI 10.1021/jacs.7b06087