Computational protocol: Conformational changes during human P2X7 receptor activation examined by structural modelling and cysteine-based cross-linking studies

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Protocol publication

[…] Structural models of the hP2X7R were produced based on the structure of the zfP2X4R in the closed and ATP-bound open states (Protein Data Bank code 4DW0 and 4DW1, respectively) using Modeller version 9.12 [] and analysed using MolProbity [] as described in our previous studies [, ]. The non-conserved loop region between the β2 and β3 strands was modelled de novo using the ModLoop server []. These models are available from the authors on request. The wild-type (WT) hP2X7R sequence contained residues H155, R270 and A348. […]

Pipeline specifications

Software tools MODELLER, MolProbity, ModLoop
Application Protein structure analysis
Organisms Homo sapiens, Danio rerio
Chemicals Cysteine