4e49: Difference between revisions

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-[[Image:4e49.jpg|left|200px]]
-{{STRUCTURE_4e49|  PDB=4e49  |  SCENE=  }}
+==Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors==
+<StructureSection load='4e49' size='340' side='right'caption='[[4e49]], [[Resolution|resolution]] 1.45&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4e49]] is a 1 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=4E49 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4E49 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]] 1.45&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MBO:MERCURIBENZOIC+ACID'>MBO</scene>, <scene name='pdbligand=RCO:RESORCINOL'>RCO</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=4e49 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4e49 OCA], [https://pdbe.org/4e49 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4e49 RCSB], [https://www.ebi.ac.uk/pdbsum/4e49 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4e49 ProSAT]</span></td></tr>
+</table>
+== Disease ==
+[https://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN] Defects in CA2 are the cause of osteopetrosis autosomal recessive type 3 (OPTB3) [MIM:[https://omim.org/entry/259730 259730]; also known as osteopetrosis with renal tubular acidosis, carbonic anhydrase II deficiency syndrome, Guibaud-Vainsel syndrome or marble brain disease. Osteopetrosis is a rare genetic disease characterized by abnormally dense bone, due to defective resorption of immature bone. The disorder occurs in two forms: a severe autosomal recessive form occurring in utero, infancy, or childhood, and a benign autosomal dominant form occurring in adolescence or adulthood. Autosomal recessive osteopetrosis is usually associated with normal or elevated amount of non-functional osteoclasts. OPTB3 is associated with renal tubular acidosis, cerebral calcification (marble brain disease) and in some cases with mental retardation.<ref>PMID:1928091</ref> <ref>PMID:1542674</ref> <ref>PMID:8834238</ref> <ref>PMID:9143915</ref> <ref>PMID:15300855</ref>
+== Function ==
+[https://www.uniprot.org/uniprot/CAH2_HUMAN CAH2_HUMAN] Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.<ref>PMID:10550681</ref> <ref>PMID:11831900</ref>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+A series of hydroxybenzoic acid derivatives have shown inhibitory activity against carbonic anhydrase (CA). X-ray crystallography shows that these molecules inhibit not by binding the active site metal ion but by strong hydrogen bonding to the metal-bound water nucleophile. The binding mode observed for these molecules is distinct when compared to other non-metal-binding CA inhibitors.
-===Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors===
+Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors.,Martin DP, Cohen SM Chem Commun (Camb). 2012 May 28;48(43):5259-61. Epub 2012 Apr 24. PMID:22531842<ref>PMID:22531842</ref>
-{{ABSTRACT_PUBMED_22531842}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 4e49" style="background-color:#fffaf0;"></div>
-==About this Structure==
+==See Also==
-[[4e49]] is a 1 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=4E49 OCA].
+*[[Carbonic anhydrase 3D structures|Carbonic anhydrase 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:022531842</ref><references group="xtra"/>
+__TOC__
-[[Category: Carbonate dehydratase]]
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Cohen, S M.]]
+[[Category: Large Structures]]
-[[Category: Martin, D P.]]
+[[Category: Cohen SM]]
-[[Category: Carbonate dehydratase]]
+[[Category: Martin DP]]
-[[Category: Inhibitor]]
-[[Category: Lyase-lyase inhibitor complex]]