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PDBsum entry 6l2f
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Metal binding protein
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PDB id
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6l2f
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References listed in PDB file
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Key reference
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Title
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Cupin variants as a macromolecular ligand library for stereoselective michael addition of nitroalkanes.
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Authors
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N.Fujieda,
H.Ichihashi,
M.Yuasa,
Y.Nishikawa,
G.Kurisu,
S.Itoh.
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Ref.
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Angew Chem Int Ed Engl, 2020,
59,
7717-7720.
[DOI no: ]
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PubMed id
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Abstract
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Cupin superfamily proteins (TM1459) work as a macromolecular ligand framework
with a double-stranded β-barrel structure ligating to a Cu ion through
histidine side chains. Variegating the first coordination sphere of TM1459
revealed that H52A and H54A/H58A mutants effectively catalyzed the diastereo-
and enantioselective Michael addition reaction of nitroalkanes to an
α,β-unsaturated ketone. Moreover, calculated substrate docking signified C106N
and F104W single-point mutations, which inverted the diastereoselectivity of
H52A and further improved the stereoselectivity of H54A/H58A, respectively.
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