1n5x

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[[Image:1n5x.gif|left|200px]]<br /><applet load="1n5x" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1n5x.gif|left|200px]]
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caption="1n5x, resolution 2.80&Aring;" />
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'''Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound'''<br />
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{{Structure
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|PDB= 1n5x |SIZE=350|CAPTION= <scene name='initialview01'>1n5x</scene>, resolution 2.80&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=MTE:PHOSPHONIC+ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER'>MTE</scene>, <scene name='pdbligand=MOS:DIOXOTHIOMOLYBDENUM(VI)+ION'>MOS</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene> and <scene name='pdbligand=TEI:2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID'>TEI</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Xanthine_dehydrogenase Xanthine dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.17.1.4 1.17.1.4]
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|GENE=
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}}
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'''Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1N5X is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with <scene name='pdbligand=FES:'>FES</scene>, <scene name='pdbligand=MTE:'>MTE</scene>, <scene name='pdbligand=MOS:'>MOS</scene>, <scene name='pdbligand=FAD:'>FAD</scene> and <scene name='pdbligand=TEI:'>TEI</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Xanthine_dehydrogenase Xanthine dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.17.1.4 1.17.1.4] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N5X OCA].
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1N5X is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1N5X OCA].
==Reference==
==Reference==
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An extremely potent inhibitor of xanthine oxidoreductase. Crystal structure of the enzyme-inhibitor complex and mechanism of inhibition., Okamoto K, Eger BT, Nishino T, Kondo S, Pai EF, Nishino T, J Biol Chem. 2003 Jan 17;278(3):1848-55. Epub 2002 Nov 5. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12421831 12421831]
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An extremely potent inhibitor of xanthine oxidoreductase. Crystal structure of the enzyme-inhibitor complex and mechanism of inhibition., Okamoto K, Eger BT, Nishino T, Kondo S, Pai EF, Nishino T, J Biol Chem. 2003 Jan 17;278(3):1848-55. Epub 2002 Nov 5. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12421831 12421831]
[[Category: Bos taurus]]
[[Category: Bos taurus]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: tei-6720]]
[[Category: tei-6720]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:02:37 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:52:37 2008''

Revision as of 10:52, 20 March 2008

Image:1n5x.gif


PDB ID 1n5x

Drag the structure with the mouse to rotate
, resolution 2.80Å
Ligands: , , , and
Activity: Xanthine dehydrogenase, with EC number 1.17.1.4
Coordinates: save as pdb, mmCIF, xml



Xanthine Dehydrogenase from Bovine Milk with Inhibitor TEI-6720 Bound


Overview

TEI-6720 (2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylic acid) is an extremely potent inhibitor of xanthine oxidoreductase. Steady state kinetics measurements exhibit mixed type inhibition with K(i) and K(i)' values of 1.2 +/- 0.05 x 10(-10) m and 9 +/- 0.05 x 10(-10) m, respectively. Fluorescence-monitored titration experiments showed that TEI-6720 bound very tightly to both the active and the inactive desulfo-form of the enzyme. The dissociation constant determined for the desulfo-form was 2 +/- 0.03 x 10(-9) m; for the active form, the corresponding number was too low to allow accurate measurements. The crystal structure of the active sulfo-form of milk xanthine dehydrogenase complexed with TEI-6720 and determined at 2.8-A resolution revealed the inhibitor molecule bound in a long, narrow channel leading to the molybdenum-pterin active site of the enzyme. It filled up most of the channel and the immediate environment of the cofactor, very effectively inhibiting the activity of the enzyme through the prevention of substrate binding. Although the inhibitor did not directly coordinate to the molybdenum ion, numerous hydrogen bonds as well as hydrophobic interactions with the protein matrix were observed, most of which are also used in substrate recognition.

About this Structure

1N5X is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

An extremely potent inhibitor of xanthine oxidoreductase. Crystal structure of the enzyme-inhibitor complex and mechanism of inhibition., Okamoto K, Eger BT, Nishino T, Kondo S, Pai EF, Nishino T, J Biol Chem. 2003 Jan 17;278(3):1848-55. Epub 2002 Nov 5. PMID:12421831

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