4j4o

Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 in complex with D44

spinqualitylabelsall models 4j4o, resolution 1.73Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4j4o is a 1 chain structure with sequence from Plasmodium vivax Sal-1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.73Å Ligands: D44, GOL Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function A5K8X6_PLAVS Publication Abstract from PubMed Malaria parasite strains have emerged to tolerate the therapeutic effects of the prophylactics and drugs presently available. This resistance now poses a serious challenge to researchers in the bid to overcome malaria parasitic infection. Recent studies have shown that FK520 and its analogs inhibit malaria parasites growth by binding to FK506 binding proteins (FKBPs) of the parasites. Structure based drug screening efforts based on three-dimensional structural information of FKBPs from Plasmodium falciparum led us to identify new chemical entities that bind to the parasite FKBP35 and inhibit its growth. Our experimental results verify that this novel compound (D44) modulate the PPIase activity of Plasmodium FKBP35 and demonstrate the stage-specific growth inhibition of Plasmodium falciparum strains. Here, we present the X-ray crystallographic structures of FK506 binding domains (FKBDs) of PfFKBP35 and PvFKBP35 in complex with the newly identified inhibitor providing molecular insights into its mode of action. Small molecule Plasmodium FKBP35 inhibitor as a potential antimalaria agent.,Harikishore A, Niang M, Rajan S, Preiser PR, Yoon HS Sci Rep. 2013 Aug 26;3:2501. doi: 10.1038/srep02501. PMID:23974147 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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