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Crystal Structure of the human PXR-LBD in complex with an SRC-1 coactivator peptide and SR12813

X-ray diffraction
2Å resolution
PDB entry 1nrl coloured by chain, front view.
PDB entry 1nrl coloured by chain, side view.
PDB entry 1nrl coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
hetero dimer (preferred)
hetero tetramer
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Nuclear receptor subfamily 1 group I member 2 and Nuclear receptor coactivator 1
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Multimeric state: hetero dimer
Accessible surface area: 14856.62 Å2
Buried surface area: 2289.13 Å2
Dissociation area: 603.87 Å2
Dissociation energy (ΔGdiss): 3.42 kcal/mol
Dissociation entropy (TΔSdiss): 8.15 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-130971
Assembly 2
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Assembly Name: Nuclear receptor subfamily 1 group I member 2 and Nuclear receptor coactivator 1
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Multimeric state: hetero dimer
Accessible surface area: 14397.0 Å2
Buried surface area: 2292.48 Å2
Dissociation area: 594.82 Å2
Dissociation energy (ΔGdiss): 4.54 kcal/mol
Dissociation entropy (TΔSdiss): 8.17 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-130971
Assembly 3
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Assembly Name: PXR-NCOA1 activated nuclear receptor complex
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Multimeric state: hetero tetramer
Accessible surface area: 27693.41 Å2
Buried surface area: 6141.82 Å2
Dissociation area: 780.11 Å2
Dissociation energy (ΔGdiss): 2.39 kcal/mol
Dissociation entropy (TΔSdiss): 13.28 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-130976
Complex Portal ID: CPX-517

Macromolecules

Nuclear receptor subfamily 1 group I member 2
Chains: A, B
Length: 316 amino acids
Theoretical weight: 36.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O75469 (Residues: 130-434; Coverage: 70%)
Gene names: NR1I2, PXR
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
SCOP: Nuclear receptor ligand-binding domain
Nuclear receptor subfamily 1 group I member 2 in PDB entry 1nrl, assembly 1, front view.
Nuclear receptor subfamily 1 group I member 2 in PDB entry 1nrl, assembly 1, side view.
Nuclear receptor subfamily 1 group I member 2 in PDB entry 1nrl, assembly 1, top view.
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Nuclear receptor coactivator 1
Chains: C, D
Length: 25 amino acids
Theoretical weight: 2.81 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 676-700; Coverage: 2%)
Gene names: BHLHE74, NCOA1, SRC1
Pfam: Steroid receptor coactivator
InterPro: Nuclear receptor coactivator, receptor-binding domain
Nuclear receptor coactivator 1 in PDB entry 1nrl, assembly 1, front view.
Nuclear receptor coactivator 1 in PDB entry 1nrl, assembly 1, side view.
Nuclear receptor coactivator 1 in PDB entry 1nrl, assembly 1, top view.
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