Modeling membrane proteins: The importance of cysteine amino-acids

Evgeni Grazhdankin, Michal Stepniewski, Henri Xhaard

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Sammanfattning

Computational modeling of membrane proteins is critical to understand biochemical systems and to support chemical biology. In this work, we use a dataset of 448 non-redundant membrane protein chains to expose a "rule" that governs membrane protein structure: free cysteine thiols are not found accessible to oxidative compartments such as the extracellular space, but are rather involved in disulphide bridges. Taking as examples the 1018 three-dimensional models produced during the GPCR Dock 2008, 2010 and 2013 competitions and 390 models for a GPCR target in CASP13, we show that this rule was not accounted for by the modeling community. We thus highlight a new direction for model development that should lead to more accurate membrane protein models, especially in the loop domains.

Originalspråkengelska
Artikelnummer107400
TidskriftJournal of Structural Biology
Volym209
Nummer1
Antal sidor9
ISSN1047-8477
DOI
StatusPublicerad - 1 jan. 2020
MoE-publikationstypA1 Tidskriftsartikel-refererad

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  • 1182 Biokemi, cell- och molekylärbiologi
  • 317 Farmaci

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