7d6r | pdb_00007d6r

Crystal structure of the Stx2a complexed with MMA betaAla peptide

spinqualitylabelsall models 7d6r, resolution 1.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7d6r is a 7 chain structure with sequence from Escherichia coli. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.6Å Ligands: 1PS, BAL, NH2 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Shiga toxin (Stx) is a major virulence factor of enterohemorrhagic Escherichia coli, which causes fatal systemic complications. Here, we identified a tetravalent peptide that inhibited Stx by targeting its receptor-binding, B-subunit pentamer through a multivalent interaction. A monomeric peptide with the same motif, however, did not bind to the B-subunit pentamer. Instead, the monomer inhibited cytotoxicity with remarkable potency by binding to the catalytic A-subunit. An X-ray crystal structure analysis to 1.6 A resolution revealed that the monomeric peptide fully occupied the catalytic cavity, interacting with Glu167 and Arg170, both of which are essential for catalytic activity. Thus, the peptide motif demonstrated potent inhibition of two functionally distinct subunits of Stx. Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin.,Watanabe-Takahashi M, Tamada M, Senda M, Hibino M, Shimizu E, Okuta A, Miyazawa A, Senda T, Nishikawa K Commun Biol. 2021 May 10;4(1):538. doi: 10.1038/s42003-021-02068-3. PMID:33972673 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Shiga toxin 3D structures

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