4ac7

The crystal structure of Sporosarcina pasteurii urease in complex with citrate

spinqualitylabelsall models 4ac7, resolution 1.50Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4ac7 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: EDO, FLC, NI, OH, SO4 NonStd Res: CXM, KCX Related: 2ubp, 1ie7, 4ubp, 3ubp, 1s3t, 1ubp Activity: Urease, with EC number 3.5.1.5 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Urease, the enzyme that catalyses the hydrolysis of urea, is a virulence factor for a large number of ureolytic bacterial human pathogens. The increasing resistance of these pathogens to common antibiotics as well as the need to control urease activity to improve the yield of soil nitrogen fertilization in agricultural applications has stimulated the development of novel classes of molecules that target urease as enzyme inhibitors. We report on the crystal structure at 1.50-A resolution of a complex formed between citrate and urease from Sporosarcina pasteurii, a widespread and highly ureolytic soil bacterium. The fit of the ligand to the active site involves stabilizing interactions, such as a carboxylate group that binds the nickel ions at the active site and several hydrogen bonds with the surrounding residues. The citrate ligand has a significantly extended structure compared with previously reported ligands co-crystallized with urease and thus represents a unique and promising scaffold for the design of new, highly active, stable, selective inhibitors. The crystal structure of Sporosarcina pasteurii urease in a complex with citrate provides new hints for inhibitor design.,Benini S, Kosikowska P, Cianci M, Mazzei L, Vara AG, Berlicki L, Ciurli S J Biol Inorg Chem. 2013 Mar;18(3):391-9. doi: 10.1007/s00775-013-0983-7. Epub, 2013 Feb 15. PMID:23412551 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Urease Urease 3D structures

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