Articles | Volume 2, issue 2
https://doi.org/10.5194/mr-2-765-2021
https://doi.org/10.5194/mr-2-765-2021
Research article
 | 
25 Oct 2021
Research article |  | 25 Oct 2021

Anomalous amide proton chemical shifts as signatures of hydrogen bonding to aromatic sidechains

Kumaran Baskaran, Colin W. Wilburn, Jonathan R. Wedell, Leonardus M. I. Koharudin, Eldon L. Ulrich, Adam D. Schuyler, Hamid R. Eghbalnia, Angela M. Gronenborn, and Jeffrey C. Hoch

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Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on mr-2021-53', H.-H. Limbach, 18 Jul 2021
  • RC2: 'Comment on mr-2021-53', Peter Tolstoy, 31 Jul 2021
  • AC1: 'Comment on mr-2021-53', Jeffrey Hoch, 25 Aug 2021

Peer review completion

AR: Author's response | RR: Referee report | ED: Editor decision | EF: Editorial file upload
AR by Jeffrey Hoch on behalf of the Authors (18 Sep 2021)  Author's response   Author's tracked changes   Manuscript 
ED: Publish as is (20 Sep 2021) by Jörg Matysik
AR by Jeffrey Hoch on behalf of the Authors (05 Oct 2021)
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Short summary
The Biological Magnetic Resonance Data Bank (BMRB) has been used to identify overall trends, for example, the relationship between chemical shift and backbone conformation. The BMRB archive has grown so that statistical outliers are sufficiently numerous to afford insights into unusual or unique structural features in proteins. We analyze amide proton chemical shift outliers to gain insights into the occurrence of hydrogen bonds between an amide NH and the p-pi cloud of aromatic sidechains.