3khj | pdb_00003khj

C. parvum inosine monophosphate dehydrogenase bound by inhibitor C64

spinqualitylabelsall models 3khj, resolution 2.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3khj is a 8 chain structure with sequence from Crypi. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: ACT, C64, IMP Related: 1nfb, 1pvn, 1zfj, 1nf7, 1lrt Gene: cgd6_20, GuaB (CRYPI) Activity: IMP dehydrogenase, with EC number 1.1.1.205 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT 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 Cryptosporidium parvum is a potential biowarfare agent, an important AIDS pathogen, and a major cause of diarrhea and malnutrition. No vaccines or effective drug treatment exist to combat Cryptosporidium infection. This parasite relies on inosine 5'-monophosphate dehydrogenase (IMPDH) to obtain guanine nucleotides, and inhibition of this enzyme blocks parasite proliferation. Here, we report the first crystal structures of CpIMPDH. These structures reveal the structural basis of inhibitor selectivity and suggest a strategy for further optimization. Using this information, we have synthesized low-nanomolar inhibitors that display 10(3) selectivity for the parasite enzyme over human IMPDH2. The Structural Basis of Cryptosporidium -Specific IMP Dehydrogenase Inhibitor Selectivity.,Macpherson IS, Kirubakaran S, Gorla SK, Riera TV, D'Aquino JA, Zhang M, Cuny GD, Hedstrom L J Am Chem Soc. 2010 Jan 6. PMID:20052976 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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