TERTIARY STRUCTURE PREDICTION OF POTENTIAL EFFLUX-PUMP PROTEIN IN CLOSTRIDIUM BEBERINCKII NRRL B-598

TERTIARY STRUCTURE PREDICTION OF POTENTIAL EFFLUX-PUMP PROTEIN IN CLOSTRIDIUM BEBERINCKII NRRL B-598

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The fields of computational biochemistry and structural biology are growing rapidly. With various computational tools the whole workflow for in silico modeling of three-dimensional protein structures can be compiled. Here, we present a method for tertiary structure prediction for arcB1, a putative efflux pump gene, recently identified in the genomic sequence of Clostridium beijerinckii NRRL B-598. The strain C. beijerinckii NRRL B-598, formerly misidentified as C. pasteurianum, is an oxygen tolerant heterofermentative anaerobe with the ability of acetone-butanol fermentation, with butanol as the main product. Unfortunately, the mechanism of butanol efflux remains unknown. The translated AcrB1 protein sequence had a high similarity to the already described efflux-pump of Escherichia coli. To study these sequences in a structural context, we constructed a homology model for C. beijerinckii NRRL B-598 and compared it with the corresponding experimentally determined structure from E. coli. The predicted protein model helps us to understand its function and confirm that acrB1 is a gene for nonspecific efflux pump — a potential pump capable of butanol efflux.

The fields of computational biochemistry and structural biology are growing rapidly. With various computational tools the whole workflow for in silico modeling of three-dimensional protein structures can be compiled. Here, we present a method for tertiary structure prediction for arcB1, a putative efflux pump gene, recently identified in the genomic sequence of Clostridium beijerinckii NRRL B-598. The strain C. beijerinckii NRRL B-598, formerly misidentified as C. pasteurianum, is an oxygen tolerant heterofermentative anaerobe with the ability of acetone-butanol fermentation, with butanol as the main product. Unfortunately, the mechanism of butanol efflux remains unknown. The translated AcrB1 protein sequence had a high similarity to the already described efflux-pump of Escherichia coli. To study these sequences in a structural context, we constructed a homology model for C. beijerinckii NRRL B-598 and compared it with the corresponding experimentally determined structure from E. coli. The predicted protein model helps us to understand its function and confirm that acrB1 is a gene for nonspecific efflux pump — a potential pump capable of butanol efflux.

Clostridium; ABE fermentation; efflux pump

Clostridium; ABE fermentation; efflux pump

KOŠČOVÁ, P.; SEDLÁŘ, K.; KUPKOVÁ, K.; KOLEK, J.; PATÁKOVÁ, P.; PROVAZNÍK, I.

2018

31.10.2017

Ocean Design

Praha

978-80-86238-62-3

Proceedings of the 5th International Conference on Chemical Technology

1

26

30

5

http://www.icct.cz/AngiologyKlon-ICCT/media/system/ICCT2017-full_papers.pdf