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Structure paper

TitleAn Artificial Copper-Michaelase Featuring a Genetically Encoded Bipyridine Ligand for Asymmetric Additions to Nitroalkenes.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 64, Page e202423182-e202423182, Year 2025
Publish dateNov 1, 2024 (structure data deposition date)
AuthorsJiang, R. / Casilli, F. / Thunnissen, A.W.H. / Roelfes, G.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:39945539
MethodsX-ray diffraction
Resolution1.5 - 2.26 Å
Structure data

PDB-9h9w:
Crystal structure of metal-free LmrR_V15Bpy in an open state
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

PDB-9h9x:
Crystal structure of metal-free LmrR_V15Bpy in a closed state
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

PDB-9h9y:
Crystal structure of metal-free LmrR_V15Bpy variant BVS in a closed state
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-9h9z:
Crystal structure of Cu(II)-bound LmrR_V15Bpy
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-9ha0:
Crystal structure of Cu(II)-bound LmrR_V15Bpy variant BVS
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-B3P:
2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-CU:
COPPER (II) ION

ChemComp-MLI:
MALONATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-IMD:
IMIDAZOLE

Source
  • lactococcus cremoris subsp. cremoris mg1363 (lactic acid bacteria)
KeywordsMETAL BINDING PROTEIN / artificial metalloenzyme / unnatural amino acid / bipyridine / copper-binding / LmrR / directed evolution

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