1nhx: Difference between revisions
New page: left|200px<br /> <applet load="1nhx" size="450" color="white" frame="true" align="right" spinBox="true" caption="1nhx, resolution 2.10Å" /> '''PEPCK COMPLEX WITH ... |
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[[Image:1nhx. | [[Image:1nhx.jpg|left|200px]]<br /><applet load="1nhx" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="1nhx, resolution 2.10Å" /> | caption="1nhx, resolution 2.10Å" /> | ||
'''PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR'''<br /> | '''PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
1NHX is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with MN, NA, PEP, FTB and EDO as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Phosphoenolpyruvate_carboxykinase_(GTP) Phosphoenolpyruvate carboxykinase (GTP)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.1.32 4.1.1.32] Full crystallographic information is available from [http:// | 1NHX is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=MN:'>MN</scene>, <scene name='pdbligand=NA:'>NA</scene>, <scene name='pdbligand=PEP:'>PEP</scene>, <scene name='pdbligand=FTB:'>FTB</scene> and <scene name='pdbligand=EDO:'>EDO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Phosphoenolpyruvate_carboxykinase_(GTP) Phosphoenolpyruvate carboxykinase (GTP)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.1.32 4.1.1.32] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NHX OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: xanthine]] | [[Category: xanthine]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:29:05 2008'' | ||
Revision as of 14:29, 15 February 2008
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PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR
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 with MN, NA, PEP, FTB and EDO as ligands. Active as Phosphoenolpyruvate carboxykinase (GTP), with EC number 4.1.1.32 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
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