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Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex

X-ray diffraction
2.602Å resolution
PDB entry 2yat coloured by chain, front view.
PDB entry 2yat coloured by chain, side view.
PDB entry 2yat 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: 19243.95 Å2
Buried surface area: 4422.95 Å2
Dissociation area: 1,626.74 Å2
Dissociation energy (ΔGdiss): 9.71 kcal/mol
Dissociation entropy (TΔSdiss): 13.28 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-136919
Homo dimeric assembly 1 of PDB entry 2yat coloured by chemically distinct molecules, front view.
Homo dimeric assembly 1 of PDB entry 2yat coloured by chemically distinct molecules, side view.
Homo dimeric assembly 1 of PDB entry 2yat coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 98%
No. subunits : 2
Symmetry : C2
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3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : Interface geometry is similar to that of 2q61_1 (23% id)

Macromolecules

Estrogen receptor
Chain: A
Length: 252 amino acids
Theoretical weight: 28.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03372 (Residues: 301-551; 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 2yat, assembly 1, front view.
Estrogen receptor in PDB entry 2yat, assembly 1, side view.
Estrogen receptor in PDB entry 2yat, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P03372  
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