1ew8

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[[Image:1ew8.gif|left|200px]]<br /><applet load="1ew8" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1ew8.gif|left|200px]]
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caption="1ew8, resolution 2.2&Aring;" />
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'''ALKALINE PHOSPHATASE (E.C. 3.1.3.1) COMPLEX WITH PHOSPHONOACETIC ACID'''<br />
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{{Structure
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|PDB= 1ew8 |SIZE=350|CAPTION= <scene name='initialview01'>1ew8</scene>, resolution 2.2&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene> and <scene name='pdbligand=PAE:PHOSPHONOACETIC ACID'>PAE</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Alkaline_phosphatase Alkaline phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.1 3.1.3.1]
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|GENE= PHOA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli])
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}}
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'''ALKALINE PHOSPHATASE (E.C. 3.1.3.1) COMPLEX WITH PHOSPHONOACETIC ACID'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1EW8 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=PO4:'>PO4</scene>, <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=MG:'>MG</scene> and <scene name='pdbligand=PAE:'>PAE</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Alkaline_phosphatase Alkaline phosphatase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.3.1 3.1.3.1] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EW8 OCA].
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1EW8 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EW8 OCA].
==Reference==
==Reference==
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Alternate modes of binding in two crystal structures of alkaline phosphatase-inhibitor complexes., Holtz KM, Stec B, Myers JK, Antonelli SM, Widlanski TS, Kantrowitz ER, Protein Sci. 2000 May;9(5):907-15. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10850800 10850800]
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Alternate modes of binding in two crystal structures of alkaline phosphatase-inhibitor complexes., Holtz KM, Stec B, Myers JK, Antonelli SM, Widlanski TS, Kantrowitz ER, Protein Sci. 2000 May;9(5):907-15. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10850800 10850800]
[[Category: Alkaline phosphatase]]
[[Category: Alkaline phosphatase]]
[[Category: Escherichia coli]]
[[Category: Escherichia coli]]
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[[Category: enzyme-inhibitor complex]]
[[Category: enzyme-inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:32:07 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:01:04 2008''

Revision as of 09:01, 20 March 2008

Image:1ew8.gif


PDB ID 1ew8

Drag the structure with the mouse to rotate
, resolution 2.2Å
Ligands: , , , and
Gene: PHOA (Escherichia coli)
Activity: Alkaline phosphatase, with EC number 3.1.3.1
Coordinates: save as pdb, mmCIF, xml



ALKALINE PHOSPHATASE (E.C. 3.1.3.1) COMPLEX WITH PHOSPHONOACETIC ACID


Overview

Two high resolution crystal structures of Escherichia coli alkaline phosphatase (AP) in the presence of phosphonate inhibitors are reported. The phosphonate compounds, phosphonoacetic acid (PAA) and mercaptomethylphosphonic acid (MMP), bind competitively to AP with dissociation constants of 5.5 and 0.6 mM, respectively. The structures of the complexes of AP with PAA and MMP were refined at high resolution to crystallographic R-values of 19.0 and 17.5%, respectively. Refinement of the AP-inhibitor complexes was carried out using X-PLOR. The final round of refinement was done using SHELXL-97. Crystallographic analyses of the inhibitor complexes reveal different binding modes for the two phosphonate compounds. The significant difference in binding constants can be attributed to these alternative binding modes observed in the high resolution X-ray structures. The phosphinyl group of PAA coordinates to the active site zinc ions in a manner similar to the competitive inhibitor and product inorganic phosphate. In contrast, MMP binds with its phosphonate moiety directed toward solvent. Both enzyme-inhibitor complexes exhibit close contacts, one of which has the chemical and geometrical potential to be considered an unconventional hydrogen bond of the type C-H...X.

About this Structure

1EW8 is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

Alternate modes of binding in two crystal structures of alkaline phosphatase-inhibitor complexes., Holtz KM, Stec B, Myers JK, Antonelli SM, Widlanski TS, Kantrowitz ER, Protein Sci. 2000 May;9(5):907-15. PMID:10850800

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