PPIRE16349

Target Protein Information
Protein_Name Lethal(2) giant larvae protein homolog 1
Protein_Sequence MMKFRFRRQGADPQREKLKQELFAFNKTVEHGFPNQPSALAFDPELRIMAIGTRSGAVKIYGAPGVEFTGLHRDAATVTQMHFLTGQGRLLSLLDDSSLHLWEIVHHNGCAHLEEALSFQLPSRPGFDGASAPLSLTRVTVVLLVAASDIAALGTEGSSVFFLDVTTLTLLEGQTLAPGEVLRSVPDDYRCGKALGPVESLQGHLRDPTKILIGYSRGLLVIWNQASQCVDHIFLGNQQLESLCWGRDSSTVVSSHSDGSYAVWSVDAGSFPTLQPTVATTPYGPFPCKAINKILWRNCESGGHFIIFSGGMPRASYGDRHCVSVLRAETLVTLDFTSRIIDFFTVHSTRPEDEFDDPQALAVLLEEELVVLDLQTPGWPAVPAPYLAPLHSSAITCSAHVASVPAKLWARIVSAGEQQSPQPVSSALSWPITGGRNLAQEPSQRGLLLTGHEDGTVRFWDASGVALRPLYKLSTAGLFQTDCEHADSLAQAAEDDWPPFRKVGCFDPYSDDPRLGVQKVALCKYTAQMVVAGTAGQVLVLELSDVPVEQAVSVAIIDLLQDREGFTWKGHERLSPRTGPLPWPAGFQPRVLVQCLPPAAVTAVTLHTEWSLVAFGTSHGFGLFDYQRKSPVLARCTLHPNDSLAMEGPLSRVKSLKKSLRQSFRRIRKSRVSGKKRAANASSKLQEANAQLAEQACPHDVEMTPVQRRIEPRSADDSLSGVVRCLYFADTFLRDGAHHGPTMWAGTNSGSVFAYALEVPAAAVGGEKRPEQAVEAVLGKEVQLMHRAPVVAIAVLDGRGRPLPEPYEASRDLAQAPDMQGGHAVLIASEEQFKVFTLPKVSAKTKFKLTAHEGCRVRKVALATFASVACEDYAETCLACLTNLGDVHVFSVPGLRPQVHYSCIRKEDISGIASCVFTRHGQGFYLISPSEFERFSLSARNITEPLCSLDINWPRDATQASYRIRESPKLSQANGTPSILLAPQSLDGSPDPAHSMGPDTPEPPEAALSPMSIDSATSADTTLDTTGDVTVEDVKDFLGSSEESEKNLRNLAEDEAHACAILIK
Organism_Source Homo sapiens
Functional_Classification guanylate kinases
Cellular_Localization Cytoplasm
Gene_Names LLGL1
UniProt_ID Q15334
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name staple 1
Peptide_Sequence RIRREEYLKAIQ
Peptide_Length 12
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)O
Chemical_Modification None
Cyclization_Method Side chain-side chain cyclization; i<-->i+4; lactam bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1574.85
Aliphatic_Index 105.83333
Aromaticity 0.08333
Average_Rotatable_Bonds 4.66667
Charge_at_pH_7 2.00038
Isoelectric_Point 10.43830
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 733.06000
X_logP_energy -5.24849
Interaction Information
Affinity KD=1.36 mM
Affinity_Assay Isothermal Titration Calorimetry
PDB_ID 7F7I
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Entropy of stapled peptide inhibitors in free state is the major contributor to the improvement of binding affinity with the GK domain
Release_Year 2021
PMID 34458841
DOI 10.1039/d1cb00087j