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1nhx

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Revision as of 10:57, 20 March 2008 by OCA (Talk | contribs)
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Image:1nhx.jpg


PDB ID 1nhx

Drag the structure with the mouse to rotate
, resolution 2.10Å
Ligands: , , , and
Gene: PCK1 (Homo sapiens)
Activity: Phosphoenolpyruvate carboxykinase (GTP), with EC number 4.1.1.32
Coordinates: save as pdb, mmCIF, xml



PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR


Contents

Overview

The analysis of the X-ray structures of two xanthine inhibitors bound to PEPCK and a comparison to the X-ray structure of GTP bound to PEPCK are reported. The SAR at N-1, N-7 and developing SAR at C-8 are consistent with information gained from the X-ray structures of compounds 1 and 2 bound to PEPCK. Representative N-3 modifications of compound 2 that led to the discovery of 3-cyclopropylmethyl and its carboxy analogue as optimal N-3 groups are presented.

Disease

Known disease associated with this structure: Hypoglycemia due to PCK1 deficiency (1) OMIM:[261680]

About this Structure

1NHX is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

X-ray structures of two xanthine inhibitors bound to PEPCK and N-3 modifications of substituted 1,8-dibenzylxanthines., Foley LH, Wang P, Dunten P, Ramsey G, Gubler ML, Wertheimer SJ, Bioorg Med Chem Lett. 2003 Nov 3;13(21):3871-4. PMID:14552798

Page seeded by OCA on Thu Mar 20 12:57:09 2008

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