PPIRE01850

Target Protein Information
Protein_Name Bile acid receptor
Protein_Sequence MNLIGPSHLQATDEFALSENLFGVLTEHAAGPLGQNLDLESYSPYNNVQFPQVQPQISSSSYYSNLGFYPQQPEDWYSPGLYELRRMPTESVYQGETEVSEMPVTKKPRMAASSAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQDCRLRKCREMGMLAECLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKLCREKTELTVDQQTLLDYIMDSYSKQRMPQEITNKILKEEFSAEENFLILTEMATSHVQILVEFTKRLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPAGHADLLEERIRKSGISDEYITPMFSFYKSVGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIYQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
Organism_Source Rattus norvegicus
Functional_Classification Receptor
Cellular_Localization Nucleus
Gene_Names Nr1h4
UniProt_ID Q62735
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NID-3
Peptide_Sequence KENALLRYLLDKD
Peptide_Length 13
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)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 1590.84
Aliphatic_Index 127.69231
Aromaticity 0.07692
Average_Rotatable_Bonds 4.30769
Charge_at_pH_7 -0.00079
Isoelectric_Point 6.54749
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 24
Topological_Polar_Surface_Area 701.68000
X_logP_energy -4.42063
Interaction Information
Affinity KD=330 uM
Affinity_Assay Bio-Layer Interferometry
PDB_ID 1OSV
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title STRUCTURAL BASIS FOR BILE ACID BINDING AND ACTIVATION OF THE NUCLEAR RECEPTOR FXR
Release_Year 2003
PMID None
DOI 10.2210/pdb1osv/pdb