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5IEP

Structure of CDL2.3b, a computationally designed Vitamin-D3 binder

Summary for 5IEP
Entry DOI10.2210/pdb5iep/pdb
Related5IEN 5IEO 5IER 5IF6
DescriptorCDL2.3b, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL (3 entities in total)
Functional Keywordsrossetta, ligand binder, computational, structural genomics, de novo protein
Biological sourcesynthetic construct
Total number of polymer chains1
Total formula weight15539.69
Authors
Stoddard, B.L.,Doyle, L.A. (deposition date: 2016-02-25, release date: 2017-03-01, Last modification date: 2023-09-27)
Primary citationDay, A.L.,Greisen, P.,Doyle, L.,Schena, A.,Stella, N.,Johnsson, K.,Baker, D.,Stoddard, B.
Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31:375-387, 2018
Cited by
PubMed: 30566669
DOI: 10.1093/protein/gzy031
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.893 Å)
Structure validation

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