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@ARTICLE{Kwiatkowksi:614022,
      author       = {Kwiatkowksi, Anna and Caserta, Giorgio and Schulz,
                      Anne-Christine and Frielingsdorf, Stefan and Pelmenschikov,
                      Vladimir and Weisser, Kilian and Belsom, Adam and
                      Rappsilber, Juri and Sergeev, Ilya and Limberg, Christian
                      and Mroginski, Maria-Andrea and Zebger, Ingo and Lenz,
                      Oliver},
      title        = {{ATP}-triggered {F}e({CN})$_2${CO} synthon transfer from
                      the maturase {H}yp{CD} to the active site of
                      apo-[{N}i{F}e]-hydrogenase},
      reportid     = {PUBDB-2024-05723},
      year         = {2024},
      note         = {Funding: Deutsche Forschungsgemeinschaft (DFG, German
                      Research Foundation) through SPP 1927 “Iron Sulfur for
                      Life” project no 311062227; the cluster of excellence
                      ‘UniSysCat’ under Germany’s Excellence
                      Strategy-EXC2008-390540038. EU: the COST Action
                      FeSImmChemNet, CA21115, supported by COST (European
                      Cooperation in Science and Technology).},
      abstract     = {[NiFe]-hydrogenases catalyze the reversible activation of
                      H$_2$ using a unique NiFe(CN)$_2$CO metal site, which is
                      assembled by a sophisticated multi-protein machinery. The
                      [4Fe–4S]-cluster-containing HypCD complex, which possesses
                      an ATPase activity with an hitherto unknown function, serves
                      as the hub for the assembly of the Fe(CN)$_2$CO
                      sub-fragment. 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 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},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PET-S-20190712},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 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)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      G:(DE-H253)I-20220851 / G:(DE-H253)I-20210325 /
                      G:(GEPRIS)311062227 / G:(GEPRIS)449713269},
      experiment   = {EXP:(DE-H253)P-P01-20150101},
      typ          = {PUB:(DE-HGF)25},
      doi          = {10.26434/chemrxiv-2024-3dx2g},
      url          = {https://bib-pubdb1.desy.de/record/614022},
}