4ubp
From Proteopedia
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|PDB= 4ubp |SIZE=350|CAPTION= <scene name='initialview01'>4ubp</scene>, resolution 1.550Å | |PDB= 4ubp |SIZE=350|CAPTION= <scene name='initialview01'>4ubp</scene>, resolution 1.550Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |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> |
| - | |ACTIVITY= [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] | + | |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> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |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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[[Category: Rypniewski, W R.]] | [[Category: Rypniewski, W R.]] | ||
[[Category: Wilson, K S.]] | [[Category: Wilson, K S.]] | ||
| - | [[Category: ACE]] | ||
| - | [[Category: HAE]] | ||
| - | [[Category: NI]] | ||
[[Category: acetohydroxamic acid]] | [[Category: acetohydroxamic acid]] | ||
[[Category: bacillus pasteurii]] | [[Category: bacillus pasteurii]] | ||
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[[Category: urease]] | [[Category: urease]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:40:30 2008'' |
Revision as of 02:40, 31 March 2008
| |||||||
| , resolution 1.550Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , | ||||||
| Activity: | Urease, with EC number 3.5.1.5 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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
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