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@ARTICLE{Kwiatkowski:617141,
      author       = {Kwiatkowski, Anna and Caserta, Giorgio and Schulz,
                      Anne-Christine and Frielingsdorf, Stefan and Pelmenschikov,
                      Vladimir and Weisser, Kilian and Belsom, Adam and
                      Rappsilber, Juri and Sergueev, Ilya and Limberg, Christian
                      and Mroginski, Maria-Andrea and Zebger, Ingo and Lenz,
                      Oliver},
      title        = {{ATP}-{T}riggered {F}e({CN})$_2${CO} {S}ynthon {T}ransfer
                      from the {M}aturase {H}yp{CD} to the {A}ctive {S}ite of
                      {A}po-[{N}i{F}e]-{H}ydrogenase},
      journal      = {Journal of the American Chemical Society},
      volume       = {146},
      number       = {45},
      issn         = {0002-7863},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {PUBDB-2024-06630},
      pages        = {30976-30989},
      year         = {2024},
      note         = {Additional Funding: COSTAction FeSImmChemNet, CA21115,
                      supported by COST(European Cooperation in Science and
                      Technology). The Wellcome Centre for Cell Biology is
                      supported by core fundingfrom the Wellcome Trust [203149]
                      (J.R.).},
      abstract     = {[NiFe]-hydrogenases catalyze the reversible activation of
                      H$_2$ using a unique NiFe(CN)2CO metal site, which is
                      assembled by a sophisticated multiprotein machinery. The
                      [4Fe–4S] cluster-containing HypCD complex, which possesses
                      an ATPase activity with a hitherto unknown function, serves
                      as the hub for the assembly of the Fe(CN)$_2$CO subfragment.
                      HypCD is also thought to be responsible for the subsequent
                      transfer of the iron fragment to the apo-form of the
                      catalytic hydrogenase subunit, but the underlying mechanism
                      has remained unexplored. Here, we performed a thorough
                      spectroscopic characterization of different HypCD
                      preparations using infrared, Mössbauer, and NRVS
                      spectroscopy, revealing molecular details of the
                      coordination of the Fe(CN)$_2$CO fragment. Moreover,
                      biochemical assays in combination with spectroscopy,
                      AlphaFold structure predictions, protein–ligand docking
                      calculations, and crosslinking MS deciphered unexpected
                      mechanistic aspects of the ATP requirement of HypCD, which
                      we found to actually trigger the transfer of the
                      Fe(CN)$_2$CO fragment to the apo-hydrogenase.},
      cin          = {DOOR ; HAS-User / FS-PET-S},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PET-S-20190712},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      FS-Proposal: I-20220851 (I-20220851) / FS-Proposal:
                      I-20210325 (I-20210325) / DFG project G:(GEPRIS)311062227 -
                      Die Rolle von Eisen-Schwefel-Kofaktoren in der Assemblierung
                      von Metallzentren und der Katalyse von Hydrogenasen
                      (311062227) / DFG project G:(GEPRIS)449713269 - Design,
                      Synthese und Analyse von photospaltbaren chemischen
                      Crosslinkern zur Entwicklung von verbesserten Methoden in
                      der Crosslinking Massenspektrometrie (449713269) / DFG
                      project G:(GEPRIS)390540038 - EXC 2008: Unifying Systems in
                      Catalysis "UniSysCat" (390540038)},
      pid          = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G3 /
                      G:(DE-H253)I-20220851 / G:(DE-H253)I-20210325 /
                      G:(GEPRIS)311062227 / G:(GEPRIS)449713269 /
                      G:(GEPRIS)390540038},
      experiment   = {EXP:(DE-H253)P-P01-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:39491524},
      UT           = {WOS:001347558800001},
      doi          = {10.1021/jacs.4c09791},
      url          = {https://bib-pubdb1.desy.de/record/617141},
}