1uwt

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[[Image:1uwt.gif|left|200px]]<br /><applet load="1uwt" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1uwt.gif|left|200px]]
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caption="1uwt, resolution 1.95&Aring;" />
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'''STRUCTURE OF BETA-GLYCOSIDASE FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH D-GALACTOHYDROXIMO-1,5-LACTAM'''<br />
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{{Structure
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|PDB= 1uwt |SIZE=350|CAPTION= <scene name='initialview01'>1uwt</scene>, resolution 1.95&Aring;
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|SITE= <scene name='pdbsite=AC1:Gtl+Binding+Site+For+Chain+B'>AC1</scene>
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|LIGAND= <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene> and <scene name='pdbligand=GTL:(2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE'>GTL</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Beta-galactosidase Beta-galactosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.23 3.2.1.23]
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|GENE=
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}}
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'''STRUCTURE OF BETA-GLYCOSIDASE FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH D-GALACTOHYDROXIMO-1,5-LACTAM'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1UWT is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sulfolobus_solfataricus Sulfolobus solfataricus] with <scene name='pdbligand=ACT:'>ACT</scene> and <scene name='pdbligand=GTL:'>GTL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Beta-galactosidase Beta-galactosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.23 3.2.1.23] Known structural/functional Site: <scene name='pdbsite=AC1:Gtl+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UWT OCA].
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1UWT is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sulfolobus_solfataricus Sulfolobus solfataricus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UWT OCA].
==Reference==
==Reference==
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Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors., Gloster TM, Roberts S, Ducros VM, Perugino G, Rossi M, Hoos R, Moracci M, Vasella A, Davies GJ, Biochemistry. 2004 May 25;43(20):6101-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15147194 15147194]
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Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors., Gloster TM, Roberts S, Ducros VM, Perugino G, Rossi M, Hoos R, Moracci M, Vasella A, Davies GJ, Biochemistry. 2004 May 25;43(20):6101-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15147194 15147194]
[[Category: Beta-galactosidase]]
[[Category: Beta-galactosidase]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: hydrolase]]
[[Category: hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:29:10 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:37:51 2008''

Revision as of 12:37, 20 March 2008

Image:1uwt.gif


PDB ID 1uwt

Drag the structure with the mouse to rotate
, resolution 1.95Å
Sites:
Ligands: and
Activity: Beta-galactosidase, with EC number 3.2.1.23
Coordinates: save as pdb, mmCIF, xml



STRUCTURE OF BETA-GLYCOSIDASE FROM SULFOLOBUS SOLFATARICUS IN COMPLEX WITH D-GALACTOHYDROXIMO-1,5-LACTAM


Overview

Transition-state mimicry is increasingly important both to understand enzyme mechanism and to direct the synthesis of putative therapeutic agents. X-ray crystallography is able to provide vital information on the interactions between an enzyme and the potential inhibitor. Here we report the structures, at approximately 2 A resolution, of a family GH1 beta-glycosidase from the hyperthermophilic archaeon Sulfolobus solfataricus, in complex with both covalently (derived from 2-fluoro-glycosides) and noncovalently (hydroximolactam) bound inhibitors. The enzyme has broad specificity, accommodating both gluco- and galacto-configured substrates, and the crystallographic data demonstrate that the only difference in the way these ligands bind lies in the interactions between Gln18, Glu432, and Trp433, and the hydroxyl group at the O3 and O4 positions. Inhibition by the differently configured ligands was also shown to be extremely similar, with K(i) values of 1.04 and 1.08 microM for the gluco and galacto epimers, respectively. The noncovalently bound inhibitors have a trigonal anomeric carbon, adopt a (4)H(3) (half-chair) conformation, and an interaction is formed between O2 and the catalytic nucleophile, all of which contribute to (partial) mimicry of the oxocarbenium-ion-like transition state. The inhibition of the beta-glycosidase from S. solfataricus by hydroximolactams is discussed in light of the emerging work on family GH1 glycosidase inhibition by a spectrum of putative transition-state mimics.

About this Structure

1UWT is a Single protein structure of sequence from Sulfolobus solfataricus. Full crystallographic information is available from OCA.

Reference

Structural studies of the beta-glycosidase from Sulfolobus solfataricus in complex with covalently and noncovalently bound inhibitors., Gloster TM, Roberts S, Ducros VM, Perugino G, Rossi M, Hoos R, Moracci M, Vasella A, Davies GJ, Biochemistry. 2004 May 25;43(20):6101-9. PMID:15147194

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