6d2j | pdb_00006d2j

Beta Carbonic anhydrase in complex with thiocyanate

spinqualitylabelsall models 6d2j, resolution 2.10Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6d2j is a 1 chain structure with sequence from "bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: K, SCN, ZN Related: 6d2m, 6d2n, 6d2o Activity: Carbonate dehydratase, with EC number 4.2.1.1 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [A0A1G5JF57_ACIBA] Reversible hydration of carbon dioxide.[RuleBase:RU003956] Publication Abstract from PubMed Pseudomonas aeruginosa (P. aeruginosa) is a gram-negative facultative anaerobe belonging to the Pseudomonadaceae family. It is a multi-drug resistant opportunistic human pathogen and a common cause of life-threatening nosocomial infections, and is a key bacterial agent in cystic fibrosis and endocarditis diseases. The bacterium exhibits intrinsic resistance to most antibacterial agents, including aminoglycosides and quinolones. Hence, the identification of new drug targets for P. aeruginosa are ongoing. PsCA3 is a beta-class carbonic anhydrase (beta-CA) catalyzing the reversible hydration of carbon dioxide to bicarbonate and represents a new class of antimicrobial target. Previously, inhibitor-screening studies of psCA3 have shown a series of small anions including sulfamide (SFN), imidazole (IMD), and 4-methyl imidazole (4MI) and thiocyanate (SCN) inhibit the enzyme with efficiencies in the micro- to millimolar range. Here, the X-ray crystal structures of these inhibitors in complex with psCA3 are presented and compared to human CA II. This structural survey into the binding modes of small anions forms the foundation for the development of inhibitors against beta-CAs and more selective inhibitors against P. aeruginosa. Structural Mapping of Anion inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.,Murray A, Aggarwal M, Pinard M, Vullo D, Patrauchan M, Supuran CT, McKenna R ChemMedChem. 2018 Aug 7. doi: 10.1002/cmdc.201800375. PMID:30088334 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Carbonic anhydrase 3D structures

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