4ubp

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[[Image:4ubp.gif|left|200px]]
[[Image:4ubp.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 4ubp |SIZE=350|CAPTION= <scene name='initialview01'>4ubp</scene>, resolution 1.550&Aring;
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The line below this paragraph, containing "STRUCTURE_4ubp", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=HAE:ACETOHYDROXAMIC+ACID'>HAE</scene>, <scene name='pdbligand=KCX:LYSINE+NZ-CARBOXYLIC+ACID'>KCX</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Urease Urease], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.5 3.5.1.5] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_4ubp| PDB=4ubp | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ubp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ubp OCA], [http://www.ebi.ac.uk/pdbsum/4ubp PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=4ubp RCSB]</span>
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}}
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'''STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION'''
'''STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION'''
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[[Category: Rypniewski, W R.]]
[[Category: Rypniewski, W R.]]
[[Category: Wilson, K S.]]
[[Category: Wilson, K S.]]
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[[Category: acetohydroxamic acid]]
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[[Category: Acetohydroxamic acid]]
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[[Category: bacillus pasteurii]]
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[[Category: Bacillus pasteurii]]
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[[Category: metalloenzyme]]
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[[Category: Metalloenzyme]]
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[[Category: nickel]]
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[[Category: Nickel]]
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[[Category: urease]]
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[[Category: Urease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:30:50 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:40:30 2008''
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Revision as of 19:30, 4 May 2008

Image:4ubp.gif

Template:STRUCTURE 4ubp

STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION


Overview

The structure of Bacillus pasteurii urease inhibited with acetohydroxamic acid was solved and refined anisotropically using synchrotron X-ray cryogenic diffraction data (1.55 A resolution, 99.5% completeness, data redundancy = 26, R-factor = 15.1%, PDB code 4UBP). The two Ni ions in the active site are separated by a distance of 3.53 A. The structure clearly shows the binding mode of the inhibitor anion, symmetrically bridging the two Ni ions in the active site through the hydroxamate oxygen and chelating one Ni ion through the carbonyl oxygen. The flexible flap flanking the active site cavity is in the open conformation. The possible implications of the results on structure-based molecular design of new urease inhibitors are discussed.

About this Structure

4UBP is a Protein complex structure of sequences from Sporosarcina pasteurii. Full crystallographic information is available from OCA.

Reference

The complex of Bacillus pasteurii urease with acetohydroxamate anion from X-ray data at 1.55 A resolution., Benini S, Rypniewski WR, Wilson KS, Miletti S, Ciurli S, Mangani S, J Biol Inorg Chem. 2000 Feb;5(1):110-8. PMID:10766443 Page seeded by OCA on Sun May 4 22:30:50 2008

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