7wux | pdb_00007wux

Crystal structure of AziU3/U2 complexed with (5S,6S)-O7-sulfo DADH from Streptomyces sahachiroi

spinqualitylabelsall models 7wux, resolution 1.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 7wux is a 4 chain structure with sequence from Streptomyces sahachiroi. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.8Å Ligands: 6OI, MG, P4G, PGE Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function B4XYC0_STREG Publication Abstract from PubMed Natural products containing an aziridine ring, such as mitomycin C and azinomycin B, exhibit antitumor activities by alkylating DNA via their aziridine rings; however, the biosynthetic mechanisms underlying the formation of these rings have not yet been elucidated. We herein investigated the biosynthesis of vazabitide A, the structure of which is similar to that of azinomycin B, and demonstrated that Vzb10/11, with no similarities to known enzymes, catalyzed the formation of the aziridine ring via sulfate elimination. To elucidate the detailed reaction mechanism, crystallization of Vzb10/11 and the homologous enzyme, AziU3/U2, in the biosynthesis of azinomycin B was attempted, and the structure of AziU3/U2, which had a new protein fold overall, was successfully determined. The structural analysis revealed that these enzymes adjusted the dihedral angle between the amino group and the adjacent sulfate group of the substrate to almost 180 degrees and enhanced the nucleophilicity of the C6-amino group temporarily, facilitating the S(N)2-like reaction to form the aziridine ring. The present study reports for the first time the molecular basis for aziridine ring formation. Molecular Basis for Enzymatic Aziridine Formation via Sulfate Elimination.,Kurosawa S, Hasebe F, Okamura H, Yoshida A, Matsuda K, Sone Y, Tomita T, Shinada T, Takikawa H, Kuzuyama T, Kosono S, Nishiyama M J Am Chem Soc. 2022 Sep 7;144(35):16164-16170. doi: 10.1021/jacs.2c07243. Epub , 2022 Aug 23. PMID:35998388 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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