1nhx

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[[Image:1nhx.jpg|left|200px]]<br /><applet load="1nhx" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1nhx.jpg|left|200px]]
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caption="1nhx, resolution 2.10&Aring;" />
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'''PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR'''<br />
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{{Structure
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|PDB= 1nhx |SIZE=350|CAPTION= <scene name='initialview01'>1nhx</scene>, resolution 2.10&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEP:PHOSPHOENOLPYRUVATE'>PEP</scene>, <scene name='pdbligand=FTB:N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE'>FTB</scene> and <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>
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|ACTIVITY= [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]
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|GENE= PCK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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}}
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'''PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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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].
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1NHX is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NHX OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=14552798 14552798]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/14552798 14552798]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Phosphoenolpyruvate carboxykinase (GTP)]]
[[Category: Phosphoenolpyruvate carboxykinase (GTP)]]
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[[Category: xanthine]]
[[Category: xanthine]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:06:22 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:57:09 2008''

Revision as of 10:57, 20 March 2008

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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