The Crystal Structure of an [Fe]‐Hydrogenase–Substrate Complex Reveals the Framework for H₂ Activation

Abstract

An open and closed case: The structure of a binary complex of C176A [Fe]-hydrogenase with methylenetetrahydromethanopterin was solved at 2.15 Å resolution in an open conformation. A closed form of the complex was modeled on the basis of the experimentally determined structure. In this model, the iron-site trans to the acyl carbon is located next to the C14a and therefore considered as H2 binding site. Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.