4mgv

Crystal structure of FK506 binding domain of plasmodium VIVAX FKBP35 In complex with inhibitor D5

spinqualitylabelsall models 4mgv, resolution 1.72Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4mgv 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. Ligands: D5I Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function A5K8X6_PLAVS Publication Abstract from PubMed FKBP35, FK506 binding protein family member, in Plasmodium species displays a canonical peptidyl-prolyl isomerase (PPIase) activity and is intricately involved in the protein folding process. Inhibition of PfFKBP35 by FK506 or its analogues were shown to interfere with the in vitro growth of Plasmodium falciparum. In this study, we have synthesized adamantyl derivatives, Supradamal (SRA/4a) and its analogues SRA1/4b and SRA2/4c, which demonstrate submicromolar inhibition of Plasmodium falciparum FK506 binding domain 35 (FKBD35) PPIase activity. SRA and its analogues not only inhibit the in vitro growth of Plasmodium falciparum 3D7 strain but also show stage specific activity by inhibiting the trophozoite stage of the parasite. SRA/4a also inhibits the Plasmodium vivax FKBD35 PPIase activity and our crystal structure of PvFKBD35 in complex with the SRA provides structural insights in achieving selective inhibition against Plasmodium FKBPs. Adamantyl derivative as a potent inhibitor of Plasmodium FK506 binding protein 35.,Harikishore A, Leow ML, Niang M, Rajan S, Pasunooti KK, Preiser PR, Liu X, Yoon HS ACS Med Chem Lett. 2013 Sep 16;4(11):1097-101. doi: 10.1021/ml400306r., eCollection 2013 Nov 14. PMID:24900611 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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