› 5ien

X-ray diffraction
2.09Å resolution

Structure of CDL2.2, a computationally designed Vitamin-D3 binder

Released:
DOI: 10.2210/pdb5ien/pdb
PDB entry 5ien coloured by chain, front view.
PDB entry 5ien coloured by chain, side view.
PDB entry 5ien coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Day AL, Greisen P, Doyle L, Schena A, Stella N, Johnsson K, Baker D, Stoddard B
Protein Eng Des Sel 31 375-387 (2018)
PMID: 30566669

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-165795 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
CDL2.2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 137 amino acids
Theoretical weight: 15.06 KDa
Source organism: synthetic construct
Expression system: Escherichia coli
Structure domains: Nuclear Transport Factor 2; Chain: A,

Ligands and Environments

2 bound ligands:
Ligand VDY 2 x VDY
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 48.831Å b: 60.415Å c: 93.942Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.206 0.241
Expression system: Escherichia coli

Quick links

Citations

1 review citation

THC and CBD: Similarities and differences between siblings.
Stella N. (2023)
3 other articles

2 mentions without citation

Crystal structure of human LDB1 in complex with SSBP2.
Wang et al. (2020)
1 more