1i9o: Difference between revisions
New page: left|200px<br /> <applet load="1i9o" size="450" color="white" frame="true" align="right" spinBox="true" caption="1i9o, resolution 1.86Å" /> '''CARBONIC ANHYDRASE ... |
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[[Image:1i9o. | [[Image:1i9o.jpg|left|200px]]<br /><applet load="1i9o" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="1i9o, resolution 1.86Å" /> | caption="1i9o, resolution 1.86Å" /> | ||
'''CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE'''<br /> | '''CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
1I9O 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, HG and IOC 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:// | 1I9O 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>, <scene name='pdbligand=HG:'>HG</scene> and <scene name='pdbligand=IOC:'>IOC</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=1I9O OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: human carbonic anhydrase ii]] | [[Category: human carbonic anhydrase ii]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:00:19 2008'' | ||
Revision as of 17:00, 15 February 2008
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CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
OverviewOverview
Intermolecular interactions of eleven different fluoroaromatic inhibitors, are probed within the scaffolding of the crystal lattice of Phe-131-->Val, carbonic anhydrase II. The degree and pattern of fluorine substitution on, the inhibitor benzyl ring modulate its size, shape, and electronic, character. In turn, these properties affect the geometry of intermolecular, interactions between the fluoroaromatic rings of two different inhibitor, molecules bound in the crystal lattice, as determined by X-ray, crystallography. Depending on the degree and pattern of fluorine, substitution, we observe a face-to-face (aromatic-aromatic) interaction, an atom-to-face (carbonyl-aromatic) interaction, or no interaction at all., These interaction geometries are analyzed with regard to van der Waals, electrostatic, and possible charge-transfer effects. For the, aromatic-aromatic interactions investigated in this study, with aromatic, ring quadrupoles specifically "tuned" by the degree and pattern of, fluorination, the structural results suggest that London forces and, charge-transfer complexation dominate over weakly polar electrostatic, interactions in the association of aromatic ring pairs.
DiseaseDisease
Known disease associated with this structure: Osteopetrosis, autosomal recessive 3, with renal tubular acidosis OMIM:[611492]
About this StructureAbout this Structure
1I9O is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as Carbonate dehydratase, with EC number 4.2.1.1 Full crystallographic information is available from OCA.
ReferenceReference
Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II., Kim CY, Chandra PP, Jain A, Christianson DW, J Am Chem Soc. 2001 Oct 3;123(39):9620-7. PMID:11572683 [[Category: 4-(aminosulfonyl)-n-[(2]] [[Category: 4-trifluorophenyl)methyl]-benzamide]]
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