Structure analysis

Structural Basis for 3-deoxy-CDCA Binding and Activation of FXR

X-ray diffraction
2.9Å resolution
Source organisms:
Assemblies composition:
hetero dimer
hetero trimer (preferred)
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1
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Multimeric state: hetero dimer
Accessible surface area: 12358.9 Å2
Buried surface area: 2025.52 Å2
Dissociation area: 528.85 Å2
Dissociation energy (ΔGdiss): 4.88 kcal/mol
Dissociation entropy (TΔSdiss): 7.58 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162358
Assembly 2 (preferred)
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Multimeric state: hetero trimer
Accessible surface area: 12783.95 Å2
Buried surface area: 3144.17 Å2
Dissociation area: 591.22 Å2
Dissociation energy (ΔGdiss): 1.59 kcal/mol
Dissociation entropy (TΔSdiss): 7.7 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-162359

Macromolecules

Chains: A, B
Length: 229 amino acids
Theoretical weight: 26.75 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q62735 (Residues: 240-468; Coverage: 49%)
Gene names: Bar, Fxr, Nr1h4, Rip14
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
SCOP: Nuclear receptor ligand-binding domain

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