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1m51
From Proteopedia
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|PDB= 1m51 |SIZE=350|CAPTION= <scene name='initialview01'>1m51</scene>, resolution 2.25Å | |PDB= 1m51 |SIZE=350|CAPTION= <scene name='initialview01'>1m51</scene>, resolution 2.25Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=TSX:N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE'>TSX</scene> |
| - | + | |ACTIVITY= <span class='plainlinks'>[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] </span> | |
|GENE= PCK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= PCK1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1khb|1KHB]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1m51 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1m51 OCA], [http://www.ebi.ac.uk/pdbsum/1m51 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1m51 RCSB]</span> | ||
}} | }} | ||
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[[Category: Wang, P.]] | [[Category: Wang, P.]] | ||
[[Category: Wertheimer, S J.]] | [[Category: Wertheimer, S J.]] | ||
| - | [[Category: ACT]] | ||
| - | [[Category: EDO]] | ||
| - | [[Category: MN]] | ||
| - | [[Category: TSX]] | ||
[[Category: gluconeogenesis]] | [[Category: gluconeogenesis]] | ||
[[Category: inhibitor]] | [[Category: inhibitor]] | ||
[[Category: xanthine]] | [[Category: xanthine]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:11:21 2008'' |
Revision as of 19:11, 30 March 2008
| |||||||
| , resolution 2.25Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , | ||||||
| Gene: | PCK1 (Homo sapiens) | ||||||
| Activity: | Phosphoenolpyruvate carboxykinase (GTP), with EC number 4.1.1.32 | ||||||
| Related: | 1KHB
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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
1M51 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 Sun Mar 30 22:11:21 2008
