› 5u2b

X-ray diffraction
2.22Å resolution

Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol, without a coactivator peptide

Released:
DOI: 10.2210/pdb5u2b/pdb
PDB entry 5u2b coloured by chain, front view.
PDB entry 5u2b coloured by chain, side view.
PDB entry 5u2b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.
Stender JD, Nwachukwu JC, Kastrati I, Kim Y, Strid T, Yakir M, Srinivasan S, Nowak J, Izard T, Rangarajan ES, Carlson KE, Katzenellenbogen JA, Yao XQ, Grant BJ, Leong HS, Lin CY, Frasor J, Nettles KW, Glass CK
Mol Cell 65 1122-1135.e5 (2017)
PMID: 28306507

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136919 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
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
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand 6WV 6 x 6WV
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P1
Unit cell:
a: 60.584Å b: 64.44Å c: 135.406Å
α: 83.11° β: 75.2° γ: 61.99°
R-values:
R R work R free
0.217 0.201 0.229
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

16 review citations

Macrophages as tools and targets in cancer therapy.
Mantovani et al. (2022)
15 more

1 mention without citation

Structural and Molecular Mechanisms of Cytokine-Mediated Endocrine Resistance in Human Breast Cancer Cells.
Stender et al. (2017)