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X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha

X-ray diffraction
2.26Å resolution
PDB entry 3ips coloured by chain, front view.
PDB entry 3ips coloured by chain, side view.
PDB entry 3ips coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero tetramer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Nuclear receptor coactivator 1 and Oxysterols receptor LXR-alpha
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Multimeric state: hetero tetramer
Accessible surface area: 22043.68 Å2
Buried surface area: 5346.01 Å2
Dissociation area: 1,082.6 Å2
Dissociation energy (ΔGdiss): 1.28 kcal/mol
Dissociation entropy (TΔSdiss): 13.24 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-171550

Macromolecules

Oxysterols receptor LXR-alpha
Chains: A, B
Length: 283 amino acids
Theoretical weight: 32.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13133 (Residues: 182-447; Coverage: 60%)
Gene names: LXRA, NR1H3
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
Oxysterols receptor LXR-alpha in PDB entry 3ips, assembly 1, front view.
Oxysterols receptor LXR-alpha in PDB entry 3ips, assembly 1, side view.
Oxysterols receptor LXR-alpha in PDB entry 3ips, 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 3ips, assembly 1, front view.
Nuclear receptor coactivator 1 in PDB entry 3ips, assembly 1, side view.
Nuclear receptor coactivator 1 in PDB entry 3ips, assembly 1, top view.
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