› 5tnb

X-ray diffraction
2.08Å resolution

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-6-(4-(2-(dimethylamino)ethoxy)phenyl)-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

Released:
DOI: 10.2210/pdb5tnb/pdb
PDB entry 5tnb coloured by chain, front view.
PDB entry 5tnb coloured by chain, side view.
PDB entry 5tnb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Exploring the Structural Compliancy versus Specificity of the Estrogen Receptor Using Isomeric Three-Dimensional Ligands.
Sharma N, Carlson KE, Nwachukwu JC, Srinivasan S, Sharma A, Nettles KW, Katzenellenbogen JA
ACS Chem Biol 12 494-503 (2017)
PMID: 28032978

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
Molecule details ›
Chains: A, B, C, D
Length: 257 amino acids
Theoretical weight: 29.32 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 7EB 4 x 7EB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P1
Unit cell:
a: 53.549Å b: 58.627Å c: 94.304Å
α: 86.5° β: 75.02° γ: 62.83°
R-values:
R R work R free
0.189 0.188 0.218
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells.
Fanning et al. (2018)
1 more

1 mention without citation

Exploring the Structural Compliancy versus Specificity of the Estrogen Receptor Using Isomeric Three-Dimensional Ligands.
Sharma et al. (2017)