3kc0

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (16:10, 1 November 2023) (edit) (undo)
 
(5 intermediate revisions not shown.)
Line 1: Line 1:
-
{{STRUCTURE_3kc0| PDB=3kc0 | SCENE= }}
 
-
===Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b===
 
-
{{ABSTRACT_PUBMED_20045638}}
 
-
==Disease==
+
==Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b==
-
[[http://www.uniprot.org/uniprot/F16P1_HUMAN F16P1_HUMAN]] Defects in FBP1 are the cause of fructose-1,6-bisphosphatase deficiency (FBPD) [MIM:[http://omim.org/entry/229700 229700]]. FBPD is inherited as an autosomal recessive disorder mainly in the liver and causes life-threatening episodes of hypoglycemia and metabolic acidosis (lactacidemia) in newborn infants or young children.<ref>PMID:9382095</ref><ref>PMID:12126934</ref>
+
<StructureSection load='3kc0' size='340' side='right'caption='[[3kc0]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[3kc0]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KC0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KC0 FirstGlance]. <br>
 +
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.8&#8491;</td></tr>
 +
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2T5:[(8H-INDENO[1,2-D][1,3]THIAZOL-4-YLOXY)METHYL]PHOSPHONIC+ACID'>2T5</scene></td></tr>
 +
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3kc0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kc0 OCA], [https://pdbe.org/3kc0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kc0 RCSB], [https://www.ebi.ac.uk/pdbsum/3kc0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kc0 ProSAT]</span></td></tr>
 +
</table>
 +
== Disease ==
 +
[https://www.uniprot.org/uniprot/F16P1_HUMAN F16P1_HUMAN] Defects in FBP1 are the cause of fructose-1,6-bisphosphatase deficiency (FBPD) [MIM:[https://omim.org/entry/229700 229700]. FBPD is inherited as an autosomal recessive disorder mainly in the liver and causes life-threatening episodes of hypoglycemia and metabolic acidosis (lactacidemia) in newborn infants or young children.<ref>PMID:9382095</ref> <ref>PMID:12126934</ref>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/F16P1_HUMAN F16P1_HUMAN]
 +
== Evolutionary Conservation ==
 +
[[Image:Consurf_key_small.gif|200px|right]]
 +
Check<jmol>
 +
<jmolCheckbox>
 +
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/kc/3kc0_consurf.spt"</scriptWhenChecked>
 +
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
 +
<text>to colour the structure by Evolutionary Conservation</text>
 +
</jmolCheckbox>
 +
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3kc0 ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
With the goal of improving metabolic stability and further enhancing FBPase inhibitory activity, a series of tricyclic 8H-indeno[1,2-d][1,3]thiazoles was designed and synthesized with the aid of structure-based drug design. Extensive SAR studies led to the discovery of 19a with an IC(50) value of 1nM against human FBPase. X-ray crystallographic studies revealed that high affinity of 19a was due to the hydrophobic interaction arising from better shape complementarity and to the hydrogen bonding network involving the side chain on the tricyclic scaffold.
-
==About this Structure==
+
Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.,Tsukada T, Takahashi M, Takemoto T, Kanno O, Yamane T, Kawamura S, Nishi T Bioorg Med Chem Lett. 2010 Feb 1;20(3):1004-7. Epub 2009 Dec 21. PMID:20045638<ref>PMID:20045638</ref>
-
[[3kc0]] is a 4 chain structure with 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=3KC0 OCA].
+
 
 +
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 3kc0" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
*[[Fructose-1%2C6-bisphosphatase|Fructose-1%2C6-bisphosphatase]]
*[[Fructose-1%2C6-bisphosphatase|Fructose-1%2C6-bisphosphatase]]
-
 
+
*[[Fructose-1%2C6-bisphosphatase 3D structures|Fructose-1%2C6-bisphosphatase 3D structures]]
-
==Reference==
+
== References ==
-
<ref group="xtra">PMID:020045638</ref><references group="xtra"/><references/>
+
<references/>
-
[[Category: Fructose-bisphosphatase]]
+
__TOC__
 +
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
-
[[Category: Hanzawa, H.]]
+
[[Category: Large Structures]]
-
[[Category: Sone, J.]]
+
[[Category: Hanzawa H]]
-
[[Category: Takahashi, M.]]
+
[[Category: Sone J]]
-
[[Category: Allosteric enzyme]]
+
[[Category: Takahashi M]]
-
[[Category: Carbohydrate metabolism]]
+
-
[[Category: Disease mutation]]
+
-
[[Category: Gluconeogenesis]]
+
-
[[Category: Hydrolase]]
+
-
[[Category: Magnesium]]
+
-
[[Category: Metal-binding]]
+

Current revision

Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b

PDB ID 3kc0

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/3kc0"
Personal tools