4ubp | pdb_00004ubp

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

spinqualitylabelsall models 4ubp, resolution 1.55Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4ubp is a 3 chain structure with sequence from Sporosarcina pasteurii. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: HAE, NI NonStd Res: ACE, KCX Activity: Urease, with EC number 3.5.1.5 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Urease

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