› 4xhd

X-ray diffraction
2.4Å resolution

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

Released:
DOI: 10.2210/pdb4xhd/pdb
PDB entry 4xhd coloured by chain, front view.
PDB entry 4xhd coloured by chain, side view.
PDB entry 4xhd 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:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-130967 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor subfamily 1 group I member 2 Chain: A
Molecule details ›
Chain: A
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

Ligands and Environments

2 bound ligands:
Ligand GOL 1 x GOL
Ligand 40U 1 x 40U
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P43212
Unit cell:
a: 91.476Å b: 91.476Å c: 85.564Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.198 0.242
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Directing evolution of novel ligands by mRNA display.
Kamalinia et al. (2021)
1 more

4 mentions without citation

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