Predicted pH-dependent stability of SARS-CoV-2 spike protein trimer from interfacial acidic groups.

ABSTRACT: Transition between receptor binding domain (RBD) up and down forms of the SARS-CoV-2 spike protein trimer is coupled to receptor binding and is one route by which variants can alter viral properties. It is becoming apparent that key roles in the transition are played by pH and a more compact closed form, termed locked. Calculations of pH-dependence are made for a large set of spike trimers, including locked form trimer structures that have recently become available. Several acidic sidechains become sufficiently buried in the locked form to give a predicted pH-dependence in the mild acidic range, with stabilisation of the locked form as pH reduces from 7.5 to 5, consistent with emerging characterisation by cryo-electron microscopy. The calculated pH effects in pre-fusion spike trimers are m

SUBMITTER: Lobo VR 

PROVIDER: S-EPMC8410215 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature