5IEN

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

Summary for 5IEN

• Entry DOI: 10.2210/pdb5ien/pdb
• Related: 5IEO 5IEP 5IER 5IF6
• Descriptor: CDL2.2, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, GLYCEROL, ... (4 entities in total)
• Functional Keywords: rossetta, ligand binder, computational, structural genomics, de novo protein
• Biological source: synthetic construct
• Total number of polymer chains: 2
• Total formula weight: 31017.26

Authors

Stoddard, B.L.,Doyle, L.A. (deposition date: 2016-02-25, release date: 2017-03-01, Last modification date: 2023-09-27)

• Primary citation: Day, 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; PubMed: 30566669; DOI: 10.1093/protein/gzy031

Experimental method

X-RAY DIFFRACTION (2.089 Å)