› 4oc7

X-ray diffraction
2.5Å resolution

Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2

Released:
DOI: 10.2210/pdb4oc7/pdb
PDB entry 4oc7 coloured by chain, front view.
PDB entry 4oc7 coloured by chain, side view.
PDB entry 4oc7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A natural-product switch for a dynamic protein interface.
Scheepstra M, Nieto L, Hirsch AK, Fuchs S, Leysen S, Lam CV, in het Panhuis L, van Boeckel CA, Wienk H, Boelens R, Ottmann C, Milroy LG, Brunsveld L
Angew Chem Int Ed Engl 53 6443-8 (2014)
PMID: 24821627

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148727 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Retinoic acid receptor RXR-alpha Chain: A
Molecule details ›
Chain: A
Length: 254 amino acids
Theoretical weight: 28.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P19793 (Residues: 223-462; Coverage: 52%)
Gene names: NR2B1, RXRA
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chain: B
Molecule details ›
Chain: B
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

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P43212
Unit cell:
a: 67.554Å b: 67.554Å c: 110.075Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.242 0.198 0.242
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

2 review citations

Counting on natural products for drug design.
Rodrigues et al. (2016)
1 more

2 mentions without citation

Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
Scheepstra et al. (2017)
1 more