› 8svt

X-ray diffraction
2.39Å resolution

Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331

Released:
DOI: 10.2210/pdb8svt/pdb
PDB entry 8svt coloured by chain, front view.
PDB entry 8svt coloured by chain, side view.
PDB entry 8svt coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Garcia-Maldonado E, Huber AD, Chai SC, Nithianantham S, Li Y, Wu J, Poudel S, Miller DJ, Seetharaman J, Chen T
Nat Commun 15 4054 (2024)
PMID: 38744881

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130965 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nuclear receptor coactivator 1; Nuclear receptor subfamily 1 group I member 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 351 amino acids
Theoretical weight: 39.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O75469 (Residues: 130-434; Coverage: 70%)
  • Canonical: Q15788 (Residues: 678-710; Coverage: 2%)
Gene names: BHLHE74, NCOA1, NR1I2, PXR, SRC1
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand WU6 2 x WU6
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: P212121
Unit cell:
a: 77.189Å b: 83.252Å c: 105.879Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.202 0.237
Expression system: Escherichia coli BL21(DE3)

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