PPIRE11085

Target Protein Information
Protein_Name Retinoic acid receptor RXR-alpha
Protein_Sequence MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
Organism_Source Homo sapiens
Functional_Classification nuclear receptors
Cellular_Localization Nucleus
Gene_Names RXRA
UniProt_ID P19793
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name GRIP-1
Peptide_Sequence KHKILHRLLQDSS
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)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 1574.85
Aliphatic_Index 120.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 4.30769
Charge_at_pH_7 2.17966
Isoelectric_Point 10.78909
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 25
Topological_Polar_Surface_Area 704.67000
X_logP_energy -6.42203
Interaction Information
Affinity KD=1 uM
Affinity_Assay Isothermal titration calorimetry
PDB_ID 3OAP
Type Allosteric modulator
Structure
Reference Information
Document_Type Research Articles
Title Structure, energetics, and dynamics of binding coactivator peptide to the human retinoid X receptor Alpha ligand binding domain complex with 9-cis-retinoic acid.
Release_Year 2011
PMID 21049972
DOI 10.1021/bi101288y