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Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic Derivative Compound

X-ray diffraction
2Å resolution
PDB entry 2qr9 coloured by chain, front view.
PDB entry 2qr9 coloured by chain, side view.
PDB entry 2qr9 coloured by chain, top view.
Source organisms:
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 2 and Estrogen receptor
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Multimeric state: hetero tetramer
Accessible surface area: 20729.48 Å2
Buried surface area: 7010.63 Å2
Dissociation area: 1,644.79 Å2
Dissociation energy (ΔGdiss): 2.3 kcal/mol
Dissociation entropy (TΔSdiss): 13.07 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-136930

Macromolecules

Estrogen receptor
Chains: A, B
Length: 258 amino acids
Theoretical weight: 29.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 2qr9, assembly 1, front view.
Estrogen receptor in PDB entry 2qr9, assembly 1, side view.
Estrogen receptor in PDB entry 2qr9, 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: Mus musculus
Expression system: Not provided
UniProt:
  • Canonical: Q61026 (Residues: 686-698; Coverage: 1%)
Gene names: Grip1, Ncoa2, Src2, Tif2
Nuclear receptor coactivator 2 in PDB entry 2qr9, assembly 1, front view.
Nuclear receptor coactivator 2 in PDB entry 2qr9, assembly 1, side view.
Nuclear receptor coactivator 2 in PDB entry 2qr9, assembly 1, top view.
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