1ie8

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spinqualitylabelsall models 1ie8, resolution 1.52Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to KH1060

Contents 1 Overview 2 Disease 3 About this Structure 4 Reference

Overview

The crystal structures of the ligand-binding domain (LBD) of the vitamin D, receptor complexed to 1alpha,25(OH)(2)D(3) and the 20-epi analogs, MC1288, and KH1060, show that the protein conformation is identical, conferring a, general character to the observation first made for retinoic acid receptor, (RAR) that, for a given LBD, the agonist conformation is unique, the, ligands adapting to the binding pocket. In all complexes, the A- to D-ring, moieties of the ligands adopt the same conformation and form identical, contacts with the protein. Differences are observed only for the, 17beta-aliphatic chains that adapt their conformation to anchor the, 25-hydroxyl group to His-305 and His-397. The inverted geometry of the C20, methyl group induces different paths of the aliphatic chains. The ligands, exhibit a low-energy conformation for MC1288 and a more strained, conformation for the two others. KH1060 compensates this energy cost by, additional contacts. Based on the present data, the explanation of the, superagonist effect is to be found in higher stability and longer, half-life of the active complex, thereby excluding different conformations, of the ligand binding domain.

Disease

Known diseases associated with this structure: Osteoporosis, involutional, 166710 (1) OMIM:[601769], Rickets, vitamin D-resistant, type IIA OMIM:[601769]

About this Structure

1IE8 is a Single protein structure of sequence from Homo sapiens with KH1 as ligand. Full crystallographic information is available from OCA.

Reference

Crystal structures of the vitamin D receptor complexed to superagonist 20-epi ligands., Tocchini-Valentini G, Rochel N, Wurtz JM, Mitschler A, Moras D, Proc Natl Acad Sci U S A. 2001 May 8;98(10):5491-6. PMID:11344298

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