2pow: Difference between revisions
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New page: left|200px<br /> <applet load="2pow" size="450" color="white" frame="true" align="right" spinBox="true" caption="2pow, resolution 1.75Å" /> '''The crystal structu... |
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[[Image:2pow.gif|left|200px]]<br /> | [[Image:2pow.gif|left|200px]]<br /><applet load="2pow" size="350" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="2pow" size=" | |||
caption="2pow, resolution 1.75Å" /> | caption="2pow, resolution 1.75Å" /> | ||
'''The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide'''<br /> | '''The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide'''<br /> | ||
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==Overview== | ==Overview== | ||
Three benzene-1,3-disulfonamide derivatives were investigated for their, interaction with 12 mammalian alpha-carbonic anhydrases (CAs, EC 4.2.1.1), and three bacterial/archaeal CAs belonging to the alpha-, beta-, and, gamma-CA class, respectively. X-ray crystal structure of the three, inhibitors in complex with the dominant human isozyme CA II revealed a, particular binding mode within the cavity. The sulfonamide group in, meta-position to the Zn(2+)-coordinated SO(2)NH(2) moiety was oriented, toward the hydrophilic side of the active site cleft, establishing, hydrogen bonds with His64, Asn67, Gln92, and Thr200. The plane of the, phenyl moiety of the inhibitors was rotated by 45 degrees and tilted by 10, degrees with respect to its most recurrent orientation in other CA, II-sulfonamide complexes. | Three benzene-1,3-disulfonamide derivatives were investigated for their, interaction with 12 mammalian alpha-carbonic anhydrases (CAs, EC 4.2.1.1), and three bacterial/archaeal CAs belonging to the alpha-, beta-, and, gamma-CA class, respectively. X-ray crystal structure of the three, inhibitors in complex with the dominant human isozyme CA II revealed a, particular binding mode within the cavity. The sulfonamide group in, meta-position to the Zn(2+)-coordinated SO(2)NH(2) moiety was oriented, toward the hydrophilic side of the active site cleft, establishing, hydrogen bonds with His64, Asn67, Gln92, and Thr200. The plane of the, phenyl moiety of the inhibitors was rotated by 45 degrees and tilted by 10, degrees with respect to its most recurrent orientation in other CA, II-sulfonamide complexes. | ||
==About this Structure== | ==About this Structure== | ||
2POW 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 ZN and I7C as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] Full crystallographic information is available from [http:// | 2POW 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=ZN:'>ZN</scene> and <scene name='pdbligand=I7C:'>I7C</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Carbonate_dehydratase Carbonate dehydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.1 4.2.1.1] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2POW OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: protein-inhibitor complexes]] | [[Category: protein-inhibitor complexes]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 14:26:27 2008'' | ||
