› 9bu1

X-ray diffraction
1.75Å resolution

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-((1-propylazetidin-3-yl)methoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone

Released:
DOI: 10.2210/pdb9bu1/pdb
PDB entry 9bu1 coloured by chain, front view.
PDB entry 9bu1 coloured by chain, side view.
PDB entry 9bu1 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Young KS, Fanning SW

Function and Biology Details

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

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
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 30.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 306-554; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

1 bound ligand:
Ligand A1ASN 2 x A1ASN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: C2
Unit cell:
a: 102.749Å b: 57.984Å c: 87.621Å
α: 90° β: 103.95° γ: 90°
R-values:
R R work R free
0.196 0.194 0.226
Expression system: Escherichia coli

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