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Crystal structure of Vitamin D nuclear receptor ligand binding domain bound to a locked side-chain analog of calcitriol and SRC-1 peptide

X-ray diffraction
2.65Å resolution
PDB entry 2hbh coloured by chain, front view.
PDB entry 2hbh coloured by chain, side view.
PDB entry 2hbh coloured by chain, top view.
Source organisms:
Assembly composition:
hetero tetramer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Nuclear receptor coactivator 1 and Vitamin D3 receptor A
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Multimeric state: hetero tetramer
Accessible surface area: 21759.03 Å2
Buried surface area: 6215.29 Å2
Dissociation area: 2,100.91 Å2
Dissociation energy (ΔGdiss): 9.77 kcal/mol
Dissociation entropy (TΔSdiss): 27.86 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-172403

Macromolecules

Vitamin D3 receptor A
Chain: A
Length: 302 amino acids
Theoretical weight: 34.06 KDa
Source organism: Danio rerio
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9PTN2 (Residues: 156-453; Coverage: 66%)
Gene names: nr1i1a, vdr, vdra
Pfam: Ligand-binding domain of nuclear hormone receptor
InterPro:
CATH: Retinoid X Receptor
Vitamin D3 receptor A in PDB entry 2hbh, assembly 1, front view.
Vitamin D3 receptor A in PDB entry 2hbh, assembly 1, side view.
Vitamin D3 receptor A in PDB entry 2hbh, assembly 1, top view.
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Nuclear receptor coactivator 1
Chain: B
Length: 15 amino acids
Theoretical weight: 1.78 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 686-700; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1
InterPro:
Nuclear receptor coactivator 1 in PDB entry 2hbh, assembly 1, front view.
Nuclear receptor coactivator 1 in PDB entry 2hbh, assembly 1, side view.
Nuclear receptor coactivator 1 in PDB entry 2hbh, assembly 1, top view.
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