› 6dda

X-ray diffraction
3.2Å resolution

Nurr1 Covalently Modified by a Dopamine Metabolite

Released:
DOI: 10.2210/pdb6dda/pdb
PDB entry 6dda coloured by chain, front view.
PDB entry 6dda coloured by chain, side view.
PDB entry 6dda coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Bruning JM, Wang Y, Oltrabella F, Tian B, Kholodar SA, Liu H, Bhattacharya P, Guo S, Holton JM, Fletterick RJ, Jacobson MP, England PM
Cell Chem Biol 26 674-685.e6 (2019)
PMID: 30853418

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155039 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor subfamily 4 group A member 2 Chains: B, C
Molecule details ›
Chains: B, C
Length: 272 amino acids
Theoretical weight: 30.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P43354 (Residues: 328-598; Coverage: 45%)
Gene names: NOT, NR4A2, NURR1, TINUR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor subfamily 4 group A member 2 Chain: A
Molecule details ›
Chain: A
Length: 272 amino acids
Theoretical weight: 30.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P43354 (Residues: 328-598; Coverage: 45%)
Gene names: NOT, NR4A2, NURR1, TINUR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

3 bound ligands:
Ligand K 5 x K
Ligand G7J 3 x G7J
Ligand BR 7 x BR
1 modified residue:
Ligand OCS 1 x OCS

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P3121
Unit cell:
a: 80.586Å b: 80.586Å c: 225.805Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.25 0.25 0.294
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Potent synthetic and endogenous ligands for the adopted orphan nuclear receptor Nurr1.
Jang et al. (2021)
7 more

6 mentions without citation

Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Bruning et al. (2019)
5 more