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Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif

X-ray diffraction
3Å resolution
PDB entry 1kkq coloured by chain, front view.
PDB entry 1kkq coloured by chain, side view.
PDB entry 1kkq coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Nuclear receptor corepressor 2 and Peroxisome proliferator-activated receptor alpha
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Multimeric state: hetero dimer
Accessible surface area: 14866.51 Å2
Buried surface area: 3389.93 Å2
Dissociation area: 979.01 Å2
Dissociation energy (ΔGdiss): 7.44 kcal/mol
Dissociation entropy (TΔSdiss): 9.12 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-170556
Assembly 2
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Assembly Name: Nuclear receptor corepressor 2 and Peroxisome proliferator-activated receptor alpha
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Multimeric state: hetero dimer
Accessible surface area: 15551.05 Å2
Buried surface area: 3361.68 Å2
Dissociation area: 964.31 Å2
Dissociation energy (ΔGdiss): 7.82 kcal/mol
Dissociation entropy (TΔSdiss): 9.18 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-170556
Assembly 3
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Assembly Name: Nuclear receptor corepressor 2 and Peroxisome proliferator-activated receptor alpha
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Multimeric state: hetero dimer
Accessible surface area: 15233.85 Å2
Buried surface area: 3118.34 Å2
Dissociation area: 837.19 Å2
Dissociation energy (ΔGdiss): 1.84 kcal/mol
Dissociation entropy (TΔSdiss): 9.12 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-170556
Assembly 4
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Assembly Name: Nuclear receptor corepressor 2 and Peroxisome proliferator-activated receptor alpha
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Multimeric state: hetero dimer
Accessible surface area: 15019.82 Å2
Buried surface area: 3278.82 Å2
Dissociation area: 921.01 Å2
Dissociation energy (ΔGdiss): 4.13 kcal/mol
Dissociation entropy (TΔSdiss): 9.14 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-170556

Macromolecules

Peroxisome proliferator-activated receptor alpha
Chains: A, B, C, D
Length: 269 amino acids
Theoretical weight: 30.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q07869 (Residues: 200-468; Coverage: 58%)
Gene names: NR1C1, PPAR, PPARA
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
SCOP: Nuclear receptor ligand-binding domain
Peroxisome proliferator-activated receptor alpha in PDB entry 1kkq, assembly 1, front view.
Peroxisome proliferator-activated receptor alpha in PDB entry 1kkq, assembly 1, side view.
Peroxisome proliferator-activated receptor alpha in PDB entry 1kkq, assembly 1, top view.
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Nuclear receptor corepressor 2
Chains: E, F, G, H
Length: 19 amino acids
Theoretical weight: 2.24 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q9Y618 (Residues: 2336-2354; Coverage: 1%)
Gene names: CTG26, NCOR2
Nuclear receptor corepressor 2 in PDB entry 1kkq, assembly 1, front view.
Nuclear receptor corepressor 2 in PDB entry 1kkq, assembly 1, side view.
Nuclear receptor corepressor 2 in PDB entry 1kkq, assembly 1, top view.
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