Computational study of carbonic anhydrase IX

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Authors	ŠKULTÉTY Michal KULHÁNEK Petr
Year of publication	2015
Type	Conference abstract
MU Faculty or unit	Central European Institute of Technology
Citation
Description	CA IX consists of proteoglycan domain (PG), catalytic domain (CA), transmembrane helix and intracytoplasmatic portion. The catalytic domain has a globular shape and accommodates a conical cavity where the active site is located [2]. The PG domain is a unique structural element to the isoform IX. It is assumed that it is a key to the excellent catalytic properties of CA IX. Despite numerous experimental efforts, the structure and exact function of the PG domain is not known. We employed molecular dynamics simulations to reveal its structure and function. Several constructs were simulated on ?s time scales including the PG domain alone and constructs including both the CA and PG domains. Results indicate that the PG domain is rather unstructured portion of CA IX
Related projects:	CEITEC - Central European Institute of Technology