Crystal Structure of Phosphoserine BlaC from Mycobacterium tuberculosis Inactivated by Bis(Benzoyl) Phosphate
Abstract
:1. Introduction
2. Results
2.1. Crystal Structures of Phosphoserine BlaC and Inactivation by Bis(Benzoyl) Phosphate
2.2. Overall Structure and Active Site
3. Discussion
4. Materials and Methods
4.1. Expression and Purification
4.2. Synthesis of the Bis(Benzoyl) Phosphate
4.3. Time-Dependent Inhibition of BlaC
4.4. Protein Crystallization and Structure Determination
4.5. Sequence Alignment
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Data collection | BlaC - phosphoserine |
PDB ID | 6N14 |
Space group | P212121 |
Cell dimensions | |
(a, b, c) (Å) | 49.84, 68.04, 75.45 |
Molecules per asymetric unit | 1 |
Resolution (Å) | 28.10−1.52 |
Wavelength (Å) | 1.00 |
Rsym | 0.099 (0.816) |
I/σ | 17.6 (1.92) |
CC1/2 | 0.992 (0.623) |
Completeness | 99.75 (97.88) |
Redundancy | 6.8 (4.7) |
Refinement | |
Resolution (Å) | 28.10−1.52 |
Unique reflections | 39,978 (3,879) |
Rwork/Rfree | 0.155/0.169 |
RMSD | |
RMSD bonds (Å) | 0.003 |
RMSD angles (Å) | 0.745 |
Ramachandrans (%) | |
Favored | 98 |
Outliers | 0 |
Number of atoms | 2,322 |
Protein and ligand | 1,999 |
Water | 323 |
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Moural, T.W.; White, D.S.-D.; Choy, C.J.; Kang, C.; Berkman, C.E. Crystal Structure of Phosphoserine BlaC from Mycobacterium tuberculosis Inactivated by Bis(Benzoyl) Phosphate. Int. J. Mol. Sci. 2019, 20, 3247. https://doi.org/10.3390/ijms20133247
Moural TW, White DS-D, Choy CJ, Kang C, Berkman CE. Crystal Structure of Phosphoserine BlaC from Mycobacterium tuberculosis Inactivated by Bis(Benzoyl) Phosphate. International Journal of Molecular Sciences. 2019; 20(13):3247. https://doi.org/10.3390/ijms20133247
Chicago/Turabian StyleMoural, Timothy W., Dawanna Shar-Day White, Cindy J. Choy, Chulhee Kang, and Clifford E. Berkman. 2019. "Crystal Structure of Phosphoserine BlaC from Mycobacterium tuberculosis Inactivated by Bis(Benzoyl) Phosphate" International Journal of Molecular Sciences 20, no. 13: 3247. https://doi.org/10.3390/ijms20133247