PDBe 5jmm

X-ray diffraction
2.1Å resolution

Crystal structure of hERa-LBD (Y537S) in complex with biochanin A

Released:
Source organism: Homo sapiens
Entry authors: Delfosse V, Bourguet W

Function and Biology Details

Reaction catalysed:
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Estrogen receptor Chain: A
Molecule details ›
Chain: A
Length: 255 amino acids
Theoretical weight: 29.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03372 (Residues: 302-552; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Estrogen receptor Chain: B
Molecule details ›
Chain: B
Length: 255 amino acids
Theoretical weight: 29.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03372 (Residues: 302-552; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Nuclear receptor coactivator 1 Chains: F, G
Molecule details ›
Chains: F, G
Length: 13 amino acids
Theoretical weight: 1.59 KDa
Source organism: Homo sapiens
Expression system: synthetic construct
UniProt:
  • Canonical: Q15788 (Residues: 686-698; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1

Ligands and Environments

3 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21
Unit cell:
a: 54.4Å b: 81.22Å c: 58.17Å
α: 90° β: 109.76° γ: 90°
R-values:
R R work R free
0.168 0.165 0.216
Expression systems:
  • Escherichia coli BL21(DE3)
  • synthetic construct