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Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC Analog, (E)-3-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)acrylic acid

X-ray diffraction
2.5Å resolution
PDB entry 5tm9 coloured by chain, front view.
PDB entry 5tm9 coloured by chain, side view.
PDB entry 5tm9 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: ERalpha-NCOA2 activated estrogen receptor complex
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Multimeric state: hetero tetramer
Accessible surface area: 18980.88 Å2
Buried surface area: 4420.05 Å2
Dissociation area: 311.46 Å2
Dissociation energy (ΔGdiss): 1.14 kcal/mol
Dissociation entropy (TΔSdiss): 5.9 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-136928
Complex Portal ID: CPX-5156

Macromolecules

Estrogen receptor
Chains: A, B
Length: 257 amino acids
Theoretical weight: 29.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03372 (Residues: 298-554; Coverage: 43%)
Gene names: ESR, ESR1, NR3A1
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
Estrogen receptor in PDB entry 5tm9, assembly 1, front view.
Estrogen receptor in PDB entry 5tm9, assembly 1, side view.
Estrogen receptor in PDB entry 5tm9, assembly 1, top view.
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Nuclear receptor coactivator 2
Chains: C, D
Length: 13 amino acids
Theoretical weight: 1.58 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 686-698; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2
Nuclear receptor coactivator 2 in PDB entry 5tm9, assembly 1, front view.
Nuclear receptor coactivator 2 in PDB entry 5tm9, assembly 1, side view.
Nuclear receptor coactivator 2 in PDB entry 5tm9, assembly 1, top view.
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