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FXR bound to a quinolinecarboxylic acid

X-ray diffraction
2.3Å resolution
PDB entry 3p89 coloured by chain, front view.
PDB entry 3p89 coloured by chain, side view.
PDB entry 3p89 coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
hetero dimer (preferred)
hetero hexamer
hetero 24-mer
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Bile acid receptor and Nuclear receptor coactivator 1
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Multimeric state: hetero dimer
Accessible surface area: 11451.62 Å2
Buried surface area: 1225.89 Å2
Dissociation area: 536.71 Å2
Dissociation energy (ΔGdiss): 2.64 kcal/mol
Dissociation entropy (TΔSdiss): 7.4 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-172398
Assembly 2
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Assembly Name: Bile acid receptor and Nuclear receptor coactivator 1
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Multimeric state: hetero hexamer
Accessible surface area: 32212.3 Å2
Buried surface area: 5833.13 Å2
Dissociation area: 1,108.22 Å2
Dissociation energy (ΔGdiss): 7.65 kcal/mol
Dissociation entropy (TΔSdiss): 26.21 kcal/mol
Symmetry number: 3
PDBe Complex ID: PDB-CPX-172404
Assembly 3
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Assembly Name: Bile acid receptor and Nuclear receptor coactivator 1
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Multimeric state: hetero 24-mer
Accessible surface area: 117634.94 Å2
Buried surface area: 34472.81 Å2
Dissociation area: 12,018.74 Å2
Dissociation energy (ΔGdiss): 57.47 kcal/mol
Dissociation entropy (TΔSdiss): 136.74 kcal/mol
Symmetry number: 12
PDBe Complex ID: PDB-CPX-172401

Macromolecules

Bile acid receptor
Chain: A
Length: 229 amino acids
Theoretical weight: 26.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q96RI1 (Residues: 258-486; Coverage: 47%)
Gene names: BAR, FXR, HRR1, NR1H4, RIP14
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
Bile acid receptor in PDB entry 3p89, assembly 1, front view.
Bile acid receptor in PDB entry 3p89, assembly 1, side view.
Bile acid receptor in PDB entry 3p89, assembly 1, top view.
PDBe-KB: UniProt Coverage View: Q96RI1  
122920406080100120140160180200220
 
100200
UniProt
Q96RI1
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
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Nuclear receptor coactivator 1
Chain: B
Length: 11 amino acids
Theoretical weight: 1.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q15788 (Residues: 745-755; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1
Nuclear receptor coactivator 1 in PDB entry 3p89, assembly 1, front view.
Nuclear receptor coactivator 1 in PDB entry 3p89, assembly 1, side view.
Nuclear receptor coactivator 1 in PDB entry 3p89, assembly 1, top view.
PDBe-KB: UniProt Coverage View: Q15788  
1111234567891011
 
510DHQLLRYLLDK
UniProt
Q15788
Chains
Secondary structure
Flexibility predictions
Interaction interfaces
Molecule details ›

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