Publication: Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations
Issued Date
2009-02-10
Resource Type
ISSN
10916490
00278424
00278424
Other identifier(s)
2-s2.0-60549098792
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Mahidol University
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SCOPUS
Bibliographic Citation
Proceedings of the National Academy of Sciences of the United States of America. Vol.106, No.6 (2009), 1790-1795
Suggested Citation
Poramaet Laowanapiban, Maryna Kapustina, Clemens Vonrhein, Marc Delarue, Patrice Koehl, Charles W. Carter Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations. Proceedings of the National Academy of Sciences of the United States of America. Vol.106, No.6 (2009), 1790-1795. doi:10.1073/pnas.0812752106 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/28396
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Title
Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations
Abstract
Two new crystal structures of Bacillus stearothermophilus tryptophanyl-tRNA synthetase (TrpRS) afford evidence that a closed interdomain hinge angle requires a covalent bond between AMP and an occupant of either pyrophosphate or tryptophan subsite. They also are within experimental error of a cluster of structures observed in a nonequilibrium molecular dynamics simulation showing partial active-site assembly. Further, the highest energy structure in a minimum action pathway computed by using elastic network models for Open and Pretransition state (PreTS) conformations for the fully liganded TrpRS monomer is intermediate between that simulated structure and a partially disassembled structure from a nonequilibrium molecular dynamics trajectory for the unliganded PreTS. These mutual consistencies provide unexpected validation of inferences drawn from molecular simulations. © 2009 by The National Academy of Sciences of the USA.