› 3q95

X-ray diffraction
2.05Å resolution

Crystal structure of human estrogen receptor alpha LBD in complex with GRIP peptide and estriol

Released:
DOI: 10.2210/pdb3q95/pdb
PDB entry 3q95 coloured by chain, front view.
PDB entry 3q95 coloured by chain, side view.
PDB entry 3q95 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Rajan SS, Kim Y, Vanek K, Joachimiak A, Greene GL

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136916 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Estrogen receptor Chain: A
Molecule details ›
Chain: A
Length: 260 amino acids
Theoretical weight: 29.65 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
Estrogen receptor Chain: B
Molecule details ›
Chain: B
Length: 260 amino acids
Theoretical weight: 29.72 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
Nuclear receptor coactivator 2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 13 amino acids
Theoretical weight: 1.58 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 686-698; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

2 bound ligands:
Ligand ESL 2 x ESL
Ligand CL 4 x CL
1 modified residue:
Ligand CME 3 x CME

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 56.528Å b: 81.865Å c: 58.886Å
α: 90° β: 111.13° γ: 90°
R-values:
R R work R free
0.199 0.196 0.241
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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