3n4b: Difference between revisions

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-[[Image:3n4b.png|left|200px]]
-{{STRUCTURE_3n4b|  PDB=3n4b  |  SCENE=  }}
+==Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor==
+<StructureSection load='3n4b' size='340' side='right'caption='[[3n4b]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3n4b]] 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=3N4B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3N4B 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]] 1.6&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=WWZ:4-{[(4-FLUOROPHENYL)CARBAMOYL]AMINO}BENZENESULFONAMIDE'>WWZ</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=3n4b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3n4b OCA], [https://pdbe.org/3n4b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3n4b RCSB], [https://www.ebi.ac.uk/pdbsum/3n4b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3n4b 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 ==
+-Substituted-ureido benzenesulfonamides showing inhibitory activity against carbonic anhydrase (CA, EC 4.2.1.1) II between 3.3-226 nM were crystallized in complex with the enzyme. Hydrophobic interactions between the scaffold of the inhibitors in different hydrophobic pockets of the enzyme were observed, explaining the diverse inhibitory range of these derivatives.
-===Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor===
+Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency.,Pacchiano F, Aggarwal M, Avvaru BS, Robbins AH, Scozzafava A, McKenna R, Supuran CT Chem Commun (Camb). 2010 Nov 28;46(44):8371-3. Epub 2010 Oct 5. PMID:20922253<ref>PMID:20922253</ref>
-{{ABSTRACT_PUBMED_20922253}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 3n4b" style="background-color:#fffaf0;"></div>
-[[3n4b]] 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=3N4B OCA].
 ==See Also==
-*[[Carbonic anhydrase|Carbonic anhydrase]]
+*[[Carbonic anhydrase 3D structures|Carbonic anhydrase 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:020922253</ref><references group="xtra"/>
+__TOC__
-[[Category: Carbonate dehydratase]]
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Avvaru, B S.]]
+[[Category: Large Structures]]
-[[Category: McKenna, R.]]
+[[Category: Avvaru BS]]
-[[Category: Robbins, A H.]]
+[[Category: McKenna R]]
-[[Category: Wagner, J.]]
+[[Category: Robbins AH]]
-[[Category: Benzenesulfonamide]]
+[[Category: Wagner J]]
-[[Category: Inhibitor]]
-[[Category: Lyase]]
-[[Category: Lyase-lyase inhibitor complex]]
-[[Category: Zinc ligand]]
-[[Category: Zinc metalloenzyme]]