PPIRE10180

Target Protein Information
Protein_Name Calreticulin
Protein_Sequence MLLSVPLLLGLLGLAVAEPAVYFKEQFLDGDGWTSRWIESKHKSDFGKFVLSSGKFYGDEEKDKGLQTSQDARFYALSASFEPFSNKGQTLVVQFTVKHEQNIDCGGGYVKLFPNSLDQTDMHGDSEYNIMFGPDICGPGTKKVHVIFNYKGKNVLINKDIRCKDDEFTHLYTLIVRPDNTYEVKIDNSQVESGSLEDDWDFLPPKKIKDPDASKPEDWDERAKIDDPTDSKPEDWDKPEHIPDPDAKKPEDWDEEMDGEWEPPVIQNPEYKGEWKPRQIDNPDYKGTWIHPEIDNPEYSPDPSIYAYDNFGVLGLDLWQVKSGTIFDNFLITNDEAYAEEFGNETWGVTKAAEKQMKDKQDEEQRLKEEEEDKKRKEEEEAEDKEDDEDKDEDEEDEEDKEEDEEEDVPGQAKDEL
Organism_Source Homo sapiens
Functional_Classification chaperones
Cellular_Localization Cytoplasm
Gene_Names CALR
UniProt_ID P27797
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Calreticulin-derived peptide
Peptide_Sequence SLEDDWDFLPP
Peptide_Length 11
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=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 1333.42
Aliphatic_Index 70.90909
Aromaticity 0.18182
Average_Rotatable_Bonds 3.36364
Charge_at_pH_7 -3.99890
Isoelectric_Point 3.26047
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 16
Topological_Polar_Surface_Area 521.96000
X_logP_energy -2.40120
Interaction Information
Affinity KD=64 nM
Affinity_Assay not specified
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Ligand binding mode of GABAA receptor-associated protein.
Release_Year 2008
PMID 18638487
DOI 10.1016/j.jmb.2008.06.086