Literature DB >> 25478844

Perdeuteration: improved visualization of solvent structure in neutron macromolecular crystallography.

S J Fisher1, M P Blakeley1, E I Howard2, I Petit-Haertlein1, M Haertlein1, A Mitschler3, A Cousido-Siah3, A G Salvay2, A Popov4, C Muller-Dieckmann4, T Petrova5, A Podjarny3.   

Abstract

The 1.8 Å resolution neutron structure of deuterated type III antifreeze protein in which the methyl groups of leucine and valine residues are selectively protonated is presented. Comparison between this and the 1.85 Å resolution neutron structure of perdeuterated type III antifreeze protein indicates that perdeuteration improves the visibility of solvent molecules located in close vicinity to hydrophobic residues, as cancellation effects between H atoms of the methyl groups and nearby heavy-water molecules (D2O) are avoided.

Entities:  

Keywords:  neutron macromolecular crystallography; perdeuteration; solvent visibility

Mesh：

Substances：

Year:  2014        PMID： 25478844     DOI： 10.1107/S1399004714021610

Source DB:  PubMed          Journal:  Acta Crystallogr D Biol Crystallogr        ISSN： 0907-4449


  9 in total

1.  Visualizing the protons in a metalloenzyme electron proton transfer pathway.

Authors:  Hanna Kwon; Jaswir Basran; Juliette M Devos; Reynier Suardíaz; Marc W van der Kamp; Adrian J Mulholland; Tobias E Schrader; Andreas Ostermann; Matthew P Blakeley; Peter C E Moody; Emma L Raven
Journal:  Proc Natl Acad Sci U S A       Date:  2020-03-09       Impact factor: 11.205

Review 2.  Sub-atomic resolution X-ray crystallography and neutron crystallography: promise, challenges and potential.

Authors:  Matthew P Blakeley; Samar S Hasnain; Svetlana V Antonyuk
Journal:  IUCrJ       Date:  2015-06-30       Impact factor: 4.769

3.  Back-exchange of deuterium in neutron crystallography: characterization by IR spectroscopy.

Authors:  Ai Woon Yee; Matthew P Blakeley; Martine Moulin; Michael Haertlein; Edward Mitchell; V Trevor Forsyth
Journal:  J Appl Crystallogr       Date:  2017-03-24       Impact factor: 3.304

Review 4.  Neutron Crystallography for the Study of Hydrogen Bonds in Macromolecules.

Authors:  Esko Oksanen; Julian C-H Chen; Suzanne Zoë Fisher
Journal:  Molecules       Date:  2017-04-07       Impact factor: 4.411

5.  Enhancing protein perdeuteration by experimental evolution of Escherichia coli K-12 for rapid growth in deuterium-based media.

Authors:  Vinardas Kelpšas; Claes von Wachenfeldt
Journal:  Protein Sci       Date:  2021-12       Impact factor: 6.725

6.  Neutron crystallographic analysis of the nucleotide-binding domain of Hsp72 in complex with ADP.

Authors:  Takeshi Yokoyama; Shiho Fujii; Andreas Ostermann; Tobias E Schrader; Yuko Nabeshima; Mineyuki Mizuguchi
Journal:  IUCrJ       Date:  2022-07-16       Impact factor: 5.588

Review 7.  Evaluation of models determined by neutron diffraction and proposed improvements to their validation and deposition.

Authors:  Dorothee Liebschner; Pavel V Afonine; Nigel W Moriarty; Paul Langan; Paul D Adams
Journal:  Acta Crystallogr D Struct Biol       Date:  2018-07-24       Impact factor: 7.652

8.  Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.

Authors:  K Koruza; B Lafumat; M Nyblom; B P Mahon; W Knecht; R McKenna; S Z Fisher
Journal:  Acta Crystallogr D Struct Biol       Date:  2019-08-22       Impact factor: 7.652

9.  Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene.

Authors:  Tomas Kamencek; Sandro Wieser; Hirotaka Kojima; Natalia Bedoya-Martínez; Johannes P Dürholt; Rochus Schmid; Egbert Zojer
Journal:  J Chem Theory Comput       Date:  2020-03-24       Impact factor: 6.006
  9 in total

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