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Structure paper

TitleUnintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Journal, issue, pagesProtein Eng. Des. Sel., Vol. 31, Page 375-387, Year 2018
Publish dateFeb 25, 2016 (structure data deposition date)
AuthorsDay, A.L. / Greisen, P. / Doyle, L. / Schena, A. / Stella, N. / Johnsson, K. / Baker, D. / Stoddard, B.
External linksProtein Eng. Des. Sel. / PubMed:30566669
MethodsX-ray diffraction
Resolution1.851 - 2.089 Å
Structure data

PDB-5ien:
Structure of CDL2.2, a computationally designed Vitamin-D3 binder
Method: X-RAY DIFFRACTION / Resolution: 2.089 Å

PDB-5ieo:
Structure of CDL2.3a, a computationally designed Vitamin-D3 binder
Method: X-RAY DIFFRACTION / Resolution: 1.851 Å

PDB-5iep:
Structure of CDL2.3b, a computationally designed Vitamin-D3 binder
Method: X-RAY DIFFRACTION / Resolution: 1.893 Å

Chemicals

ChemComp-VDY:
3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • synthetic construct (others)
KeywordsDE NOVO PROTEIN / Rossetta / ligand binder / computational / Structural Genomics

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