› 6xzk

X-ray diffraction
2Å resolution

Structure of zVDR LBD-Calcitriol in complex with chimera 13

Released:
DOI: 10.2210/pdb6xzk/pdb
PDB entry 6xzk coloured by chain, front view.
PDB entry 6xzk coloured by chain, side view.
PDB entry 6xzk coloured by chain, top view.
Source organisms:
Primary publication:
Structural Basis for α-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.
Cussol L, Mauran-Ambrosino L, Buratto J, Belorusova AY, Neuville M, Osz J, Fribourg S, Fremaux J, Dolain C, Goudreau SR, Rochel N, Guichard G
Angew Chem Int Ed Engl 60 2296-2303 (2021)
PMID: 32935897

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167817 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Vitamin D3 receptor A Chain: A
Molecule details ›
Chain: A
Length: 302 amino acids
Theoretical weight: 34.06 KDa
Source organism: Danio rerio
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9PTN2 (Residues: 156-453; Coverage: 66%)
Gene names: nr1i1a, vdr, vdra
Sequence domains: Ligand-binding domain of nuclear hormone receptor
GLU-ASN-ALA-UIA-URL-URY-URV-UZN-LYS Chain: B
Molecule details ›
Chain: B
Length: 9 amino acids
Theoretical weight: 1.17 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand VDX 1 x VDX
Ligand ACT 2 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P6522
Unit cell:
a: 66.112Å b: 66.112Å c: 262.488Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.202 0.201 0.224
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Unnatural helical peptidic foldamers as protein segment mimics.
Sang et al. (2023)
2 more