Structure of Thermus thermophilus type 2 isopentenyl diphosphate isomerase inferred from crystallography and molecular dynamics

J. De Ruyck; S.C. Rothman; C.D. Poulter; J. Wouters

doi:10.1016/j.bbrc.2005.10.114

Structure of Thermus thermophilus type 2 isopentenyl diphosphate isomerase inferred from crystallography and molecular dynamics

J. De Ruyck, S.C. Rothman, C.D. Poulter, J. Wouters

Namur Research Institute for Life Sciences

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

Résumé

Crystal structures of Thermus thermophilus and Bacillus subtilis type 2 IPP isomerases were combined to generate an almost complete model of the FMN-bound structure of the enzyme. In contrast to previous studies, positions of flexible loops were obtained and carefully analyzed by molecular dynamics. Docking simulations find a unique putative binding site for the IPP substrate.

langue originale	Anglais
Pages (de - à)	1515-1518
Nombre de pages	4
journal	Biochemical and Biophysical Research Communications
Volume	338
Numéro de publication	3
Les DOIs	https://doi.org/10.1016/j.bbrc.2005.10.114
Etat de la publication	Publié - 23 déc. 2005

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10.1016/j.bbrc.2005.10.114

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title = "Structure of Thermus thermophilus type 2 isopentenyl diphosphate isomerase inferred from crystallography and molecular dynamics",

abstract = "Crystal structures of Thermus thermophilus and Bacillus subtilis type 2 IPP isomerases were combined to generate an almost complete model of the FMN-bound structure of the enzyme. In contrast to previous studies, positions of flexible loops were obtained and carefully analyzed by molecular dynamics. Docking simulations find a unique putative binding site for the IPP substrate.",

author = "{De Ruyck}, J. and S.C. Rothman and C.D. Poulter and J. Wouters",

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Structure of Thermus thermophilus type 2 isopentenyl diphosphate isomerase inferred from crystallography and molecular dynamics. / De Ruyck, J.; Rothman, S.C.; Poulter, C.D. et al.
Dans: Biochemical and Biophysical Research Communications, Vol 338, Numéro 3, 23.12.2005, p. 1515-1518.

Résultats de recherche: Contribution à un journal/une revue › Article › Revue par des pairs

TY - JOUR

T1 - Structure of Thermus thermophilus type 2 isopentenyl diphosphate isomerase inferred from crystallography and molecular dynamics

AU - De Ruyck, J.

AU - Rothman, S.C.

AU - Poulter, C.D.

AU - Wouters, J.

N1 - MEDLINE® is the source for the MeSH terms of this document.

PY - 2005/12/23

Y1 - 2005/12/23

N2 - Crystal structures of Thermus thermophilus and Bacillus subtilis type 2 IPP isomerases were combined to generate an almost complete model of the FMN-bound structure of the enzyme. In contrast to previous studies, positions of flexible loops were obtained and carefully analyzed by molecular dynamics. Docking simulations find a unique putative binding site for the IPP substrate.

AB - Crystal structures of Thermus thermophilus and Bacillus subtilis type 2 IPP isomerases were combined to generate an almost complete model of the FMN-bound structure of the enzyme. In contrast to previous studies, positions of flexible loops were obtained and carefully analyzed by molecular dynamics. Docking simulations find a unique putative binding site for the IPP substrate.

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U2 - 10.1016/j.bbrc.2005.10.114

DO - 10.1016/j.bbrc.2005.10.114

M3 - Article

AN - SCOPUS:27744599634

SN - 0006-291X

VL - 338

SP - 1515

EP - 1518

JO - Biochemical and Biophysical Research Communications

JF - Biochemical and Biophysical Research Communications

IS - 3

ER -

Structure of Thermus thermophilus type 2 isopentenyl diphosphate isomerase inferred from crystallography and molecular dynamics

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