› 7rnm

X-ray diffraction
1.9Å resolution

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with 2-(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)isoindolin-5-ol and GRIP Peptide

Released:
DOI: 10.2210/pdb7rnm/pdb
Model geometry
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PDB entry 7rnm coloured by chain, front view.
PDB entry 7rnm coloured by chain, side view.
PDB entry 7rnm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Determinants of the Binding and Activation of Estrogen Receptor alpha by Phenolic Thieno[2,3-d]pyrimidines
Reddy Sammeta V, Anderson BM, Norris JD, Torrice CD, Joiner C, Liu S, Li H, Popov KI, Fanning SW, McDonnell DP, Willson TM
Helv. Chim. Acta 106 (2023)

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-123067 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Estrogen receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 250 amino acids
Theoretical weight: 28.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 305-554; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Nuclear receptor coactivator 2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 10 amino acids
Theoretical weight: 1.28 KDa
Source organism: Homo sapiens
Expression system: synthetic construct
UniProt:
  • Canonical: E7EWM1 (Residues: 687-696; Coverage: 1%)
Gene name: NCOA2

Ligands and Environments

1 bound ligand:
Ligand 61Z 2 x 61Z
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 56.094Å b: 83.456Å c: 58.42Å
α: 90° β: 108.52° γ: 90°
R-values:
R R work R free
0.187 0.185 0.221
Expression systems:
  • Escherichia coli
  • synthetic construct

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