3C0M: Crystal Structure Of The Proaerolysin Mutant Y221g

Citation:
Abstract
Aerolysin is the founding member of a superfamily of beta-pore-forming toxins whose pore structure is unknown. We have combined X-ray crystallography, cryo-EM, molecular dynamics and computational modeling to determine the structures of aerolysin mutants in their monomeric and heptameric forms, trapped at various stages of the pore formation process. A dynamic modeling approach based on swarm intelligence was applied, whereby the intrinsic flexibility of aerolysin extracted from new X-ray structures was used to fully exploit the cryo-EM spatial restraints. Using this integrated strategy, we obtained a radically new arrangement of the prepore conformation and a near-atomistic structure of the aerolysin pore, which is fully consistent with all of the biochemical data available so far. Upon transition from the prepore to pore, the aerolysin heptamer shows a unique concerted swirling movement, accompanied by a vertical collapse of the complex, ultimately leading to the insertion of a transmembrane beta-barrel.
PDB ID: 3C0MDownload
MMDB ID: 62434
PDB Deposition Date: 2008/1/21
Updated in MMDB: 2013/10
Experimental Method:
x-ray diffraction
Resolution: 2.88  Å
Source Organism:
Similar Structures:
Biological Unit for 3C0M: dimeric; determined by author and by software (PISA)
Molecular Components in 3C0M
Label Count Molecule
Proteins (2 molecules)
2
Aerolysin
Molecule annotation
* Click molecule labels to explore molecular sequence information.

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