› 4s0t

X-ray diffraction
3.14Å resolution

STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND WITH ADNECTIN-1 AND COMPOUND-1

Released:
DOI: 10.2210/pdb4s0t/pdb
PDB entry 4s0t coloured by chain, front view.
PDB entry 4s0t coloured by chain, side view.
PDB entry 4s0t coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Developing Adnectins that target SRC co-activator binding to PXR: a structural approach toward understanding promiscuity of PXR.
Khan JA, Camac DM, Low S, Tebben AJ, Wensel DL, Wright MC, Su J, Jenny V, Gupta RD, Ruzanov M, Russo KA, Bell A, An Y, Bryson JW, Gao M, Gambhire P, Baldwin ET, Gardner D, Cavallaro CL, Duncia JV, Hynes J
J Mol Biol 427 924-942 (2015)
PMID: 25579995

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero tetramer
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130970 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nuclear receptor subfamily 1 group I member 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 315 amino acids
Theoretical weight: 36.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O75469 (Residues: 130-434; Coverage: 70%)
Gene names: NR1I2, PXR
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Adnectin-1 Chains: D, E
Molecule details ›
Chains: D, E
Length: 120 amino acids
Theoretical weight: 13.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins

Ligands and Environments

1 bound ligand:
Ligand 40U 2 x 40U
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P4
Unit cell:
a: 119.871Å b: 119.871Å c: 84.186Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.214 0.248
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Small-molecule modulators of PXR and CAR.
Chai et al. (2016)
2 more

2 mentions without citation

A current structural perspective on PXR and CAR in drug metabolism.
Buchman et al. (2018)
1 more