Crystal structures of a subunit of the formyl­glycinamide ribonucleotide amidotransferase, PurS, from Thermus thermophilus, Sulfolobus tokodaii and Methanocaldococcus jannaschii

Watanabe, Y.; Yanai, H.; Kanagawa, M.; Suzuki, S.; Tamura, S.; Okada, K.; Baba, S.; Kumasaka, T.; Agari, Y.; Chen, L.; Fu, Z.-Q.; Chrzas, J.; Wang, B.-C.; Nakagawa, N.; Ebihara, A.; Masui, R.; Kuramitsu, S.; Yokoyama, S.; Sampei, G.; Kawai, G.

doi:10.1107/S2053230X1600978X

Acta Crystallographica Section F
Acta Crystallographica
Section F STRUCTURAL BIOLOGY COMMUNICATIONS

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Figure 6
Structural fluctuations of TtPurS (PDB entry 2cuw). (a) Atomic fluctuations for each residue during the MD simulation calculated by the superposition of one subunit of the dimer. The blue curve indicates the fluctuation of the superimposed subunit and the grey line indicates the fluctuation of the other subunit. The blue arrow indicates that a subunit corresponding to the blue curve is superimposed. (b) Atomic fluctuations on the superposition of one half of the dimer, as indicated by the arrows (residues 3–12 and 42–84 of one subunit and 19–41 of the other subunit). (c) Superposition of ten structures during the MD simulation by half of the molecule as defined in (b); the right half of the molecule was superimposed.

STRUCTURAL BIOLOGY
COMMUNICATIONS

ISSN: 2053-230X

Volume 72| Part 8| August 2016| Pages 627-635

doi:10.1107/S2053230X1600978X

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