› 5y41

X-ray diffraction
2.05Å resolution

Crystal Structure of LIGAND-BOUND NURR1-LBD

Released:
DOI: 10.2210/pdb5y41/pdb
PDB entry 5y41 coloured by chain, front view.
PDB entry 5y41 coloured by chain, side view.
PDB entry 5y41 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
PGE1 and PGA1 bind to Nurr1 and activate its transcriptional function.
Rajan S, Jang Y, Kim CH, Kim W, Toh HT, Jeon J, Song B, Serra A, Lescar J, Yoo JY, Beldar S, Ye H, Kang C, Liu XW, Feitosa M, Kim Y, Hwang D, Goh G, Lim KL, Park HM, Lee CH, Oh SF, Petsko GA, Yoon HS, Kim KS
Nat Chem Biol 16 876-886 (2020)
PMID: 32451509

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-155039 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor subfamily 4 group A member 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 271 amino acids
Theoretical weight: 30.58 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

5 bound ligands:
Ligand RPG 2 x RPG
Ligand PGE 1 x PGE
Ligand PEG 1 x PEG
Ligand CL 2 x CL
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21212
Unit cell:
a: 88.52Å b: 131.46Å c: 47.13Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.206 0.253
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Toll-like receptors in sepsis-associated cytokine storm and their endogenous negative regulators as future immunomodulatory targets.
Kumar V. (2020)
9 more

5 mentions without citation

Mechanisms of Action for Small Molecules Revealed by Structural Biology in Drug Discovery.
Li et al. (2020)
4 more