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1gwa

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[[Image:1gwa.gif|left|200px]]<br /><applet load="1gwa" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1gwa.gif|left|200px]]
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caption="1gwa, resolution 1.85&Aring;" />
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'''TRIIODIDE DERIVATIVE OF PORCINE PANCREAS ELASTASE'''<br />
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{{Structure
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|PDB= 1gwa |SIZE=350|CAPTION= <scene name='initialview01'>1gwa</scene>, resolution 1.85&Aring;
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|SITE= <scene name='pdbsite=CAA:So4+Binding+Site+For+Chain+A'>CAA</scene>
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|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=IOD:IODIDE ION'>IOD</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36]
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|GENE=
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}}
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'''TRIIODIDE DERIVATIVE OF PORCINE PANCREAS ELASTASE'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1GWA is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with <scene name='pdbligand=CA:'>CA</scene>, <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=IOD:'>IOD</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] Known structural/functional Site: <scene name='pdbsite=CAA:So4+Binding+Site+For+Chain+A'>CAA</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1GWA OCA].
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1GWA is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1GWA OCA].
==Reference==
==Reference==
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Triiodide derivatization and combinatorial counter-ion replacement: two methods for enhancing phasing signal using laboratory Cu Kalpha X-ray equipment., Evans G, Bricogne G, Acta Crystallogr D Biol Crystallogr. 2002 Jun;58(Pt 6 Pt 2):976-91. Epub, 2002 May 29. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12037300 12037300]
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Triiodide derivatization and combinatorial counter-ion replacement: two methods for enhancing phasing signal using laboratory Cu Kalpha X-ray equipment., Evans G, Bricogne G, Acta Crystallogr D Biol Crystallogr. 2002 Jun;58(Pt 6 Pt 2):976-91. Epub, 2002 May 29. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12037300 12037300]
[[Category: Pancreatic elastase]]
[[Category: Pancreatic elastase]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: zymogen]]
[[Category: zymogen]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:54:39 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:28:49 2008''

Revision as of 09:28, 20 March 2008

Image:1gwa.gif


PDB ID 1gwa

Drag the structure with the mouse to rotate
, resolution 1.85Å
Sites:
Ligands: , and
Activity: Pancreatic elastase, with EC number 3.4.21.36
Coordinates: save as pdb, mmCIF, xml



TRIIODIDE DERIVATIVE OF PORCINE PANCREAS ELASTASE


Overview

A series of experiments performed at Cu Kalpha wavelength on in-house X-ray equipment are presented which investigate two possibilities for enhancing the experimental phasing signal by means of (i) triiodide/iodide soaks using KI/I(2) and (ii) combinations of counter-ions introduced using the short cryosoak method. Triiodide-derivative crystal structures for five test proteins have been refined and reveal that iodine can bind as polyiodide and single iodide ions through hydrophobic and hydrogen-bonding interactions both at the molecular surface and in intramolecular and intermolecular cavities. In three cases, the structures could be automatically determined with autoSHARP using in-house SAD and SIRAS data. The investigation of combinatorial counter-ion replacement using multiple salts with Na(+) and Cs(+) as cations and I(-) and Cl(-) as anions reveals that, for the case of hen egg-white lysozyme, significant improvement in phasing signal is obtained by the combined use of salts compared with SIRAS methods using native and single short-soak derivative data sets.

About this Structure

1GWA is a Single protein structure of sequence from Sus scrofa. Full crystallographic information is available from OCA.

Reference

Triiodide derivatization and combinatorial counter-ion replacement: two methods for enhancing phasing signal using laboratory Cu Kalpha X-ray equipment., Evans G, Bricogne G, Acta Crystallogr D Biol Crystallogr. 2002 Jun;58(Pt 6 Pt 2):976-91. Epub, 2002 May 29. PMID:12037300

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