8jnc | pdb_00008jnc

Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin

spinqualitylabelsall models 8jnc, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 8jnc is a 2 chain structure with sequence from Streptomyces sp. ZJ306. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2Å Ligands: E5I, FMT, HEM, NA Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function A0A0B4ZV78_9ACTN Publication Abstract from PubMed Regio- and chemoselective C-H activation at multi-positions of a single molecule is fascinating but chemically challenging. The homologous cytochrome P450 enzymes IkaD and CftA catalyze multiple C-H oxidations on the same polycyclic tetramate macrolactam (PoTeM) ikarugamycin, with distinct regio- and chemoselectivity. Herein we provide mechanistic understanding of their functional differences by solving crystal structures of IkaD and CftA in complex with ikarugamycin and unnatural substrates. Distinct conformations of the F/G region in IkaD and CftA are found to differentiate the orientation of PoTeM substrates, by causing different binding patterns with polar moieties to determine site selection, oxidation order, and chemoselectivity. Fine-tuning the polar subpocket altered the regioselectivity of IkaD, indicating that substrate re-orientation by mutating residues distal to the oxidation site could serve as an important method in future engineering of P450 enzymes. A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates.,Jiang P, Jin H, Zhang G, Zhang W, Liu W, Zhu Y, Zhang C, Zhang L Angew Chem Int Ed Engl. 2023 Nov 2:e202310728. doi: 10.1002/anie.202310728. PMID:37917570 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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