› 6suo

X-ray diffraction
1.74Å resolution

ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6)

Released:
DOI: 10.2210/pdb6suo/pdb
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PDB entry 6suo coloured by chain, front view.
PDB entry 6suo coloured by chain, side view.
PDB entry 6suo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.
Scott JS, Breed J, Carbajo RJ, Davey PR, Greenwood R, Huynh HK, Klinowska T, Morrow CJ, Moss TA, Polanski R, Nissink JWM, Varnes J, Yang B
ACS Med Chem Lett 10 1492-1497 (2019)
PMID: 31620239

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
Molecule details ›
Chains: A, B
Length: 252 amino acids
Theoretical weight: 28.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 307-554; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

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

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2
Unit cell:
a: 106.18Å b: 51.36Å c: 82.78Å
α: 90° β: 91.53° γ: 90°
R-values:
R R work R free
0.223 0.221 0.244
Expression system: Escherichia coli

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Citations

1 mention without citation

Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.
Scott et al. (2019)

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