› 7rs9

X-ray diffraction
1.7Å resolution

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-25

Released:
DOI: 10.2210/pdb7rs9/pdb
PDB entry 7rs9 coloured by chain, front view.
PDB entry 7rs9 coloured by chain, side view.
PDB entry 7rs9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Dual-mechanism estrogen receptor inhibitors.
Min J, Nwachukwu JC, Min CK, Njeri JW, Srinivasan S, Rangarajan ES, Nettles CC, Sanabria Guillen V, Ziegler Y, Yan S, Carlson KE, Hou Y, Kim SH, Novick S, Pascal BD, Houtman R, Griffin PR, Izard T, Katzenellenbogen BS, Katzenellenbogen JA, Nettles KW
Proc Natl Acad Sci U S A 118 (2021)
PMID: 34452998

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: 29.44 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

Ligands and Environments

1 bound ligand:
Ligand 7OI 4 x 7OI
1 modified residue:
Ligand YCM 8 x YCM

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P1
Unit cell:
a: 53.573Å b: 58.812Å c: 92.857Å
α: 86.7° β: 75.09° γ: 62.91°
R-values:
R R work R free
0.216 0.214 0.252
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

The Influence of Sex Hormones in Liver Function and Disease.
Kasarinaite et al. (2023)
1 more