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Human estrogen receptor alpha ligand-binding domain in complex with compound 3F

X-ray diffraction
2.2Å resolution
PDB entry 1yin coloured by chain, front view.
PDB entry 1yin coloured by chain, side view.
PDB entry 1yin coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Estrogen receptor
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Multimeric state: homo dimer
Accessible surface area: 22253.75 Å2
Buried surface area: 5008.53 Å2
Dissociation area: 1,508.47 Å2
Dissociation energy (ΔGdiss): 8.65 kcal/mol
Dissociation entropy (TΔSdiss): 13.39 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-136919

Macromolecules

Estrogen receptor
Chain: A
Length: 248 amino acids
Theoretical weight: 28.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03372 (Residues: 307-554; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
Estrogen receptor in PDB entry 1yin, assembly 1, front view.
Estrogen receptor in PDB entry 1yin, assembly 1, side view.
Estrogen receptor in PDB entry 1yin, assembly 1, top view.
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