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《中国物理C》(英文)编辑部
2024年10月30日

MXAN Analysis of the XANES Energy Region of LiPDF

  • Leptospira interrogans peptide deformylase (LiPDF) is an important Zinc metalloprotein and plays a key role in protein synthesis of Leptospira interrogans, an ubiquitous environmental bacterium that can cause the infections of animals and humans. It is an attractive target for the design of new antibiotics since the deformyling apparently does not occur in the cytoplasm of eucaryotic cells. In this paper, we probed the protein in pH3.0 solution by X-ray absorption near-edge structure (XANES) spectroscopy. We quantitatively determined the local structure around the metal center using MXAN procedure, which is based on Multiple Scattering theory. The experimental XANES spectrum of LiPDF has been reconstructed perfectly using suitable initial structure mode, and the corresponding local structure of the active center provides structure information for understanding the pH-dependent enzymatic activity.
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  • [1] . Hasnain S S, Hodgson K O. J. Synchrotron Rad., 1999, 6:8522. Koningsberger D C, Prins R. X-Ray Absorption: Princi-ples, Applications, Techniques of EXAFS, SEXAFS and XANES. New York: John Wiley Sons Inc., 1988. 257-3203. Scott R A. Structural and Resonance Techniques in Biological Research. Rousseau D L, ed., Orlando, Florida:Academic Press, 1984. 2954. Powers L. Biochim. Biophys. Acta, 1982, 1: 6835. Rehr J J, Ankudinov A L. J. Synchrotron Rad., 2003, 10:436. Natoli C R, Benfatto M, Della Longa S et al. J. SynchrotronRad., 2003, 10: 267. Natoli C R, Benfatto M. A Unifying Scheme of Interpretation of X-Ray Absorption Spectra Based on the Multiple Scattering Theory. In: Lagarde P, Raoux D, Petiau J. EXAFS and Near Edge Structure Ⅳ, Volume 1. Paris: Les Editions de Physique, 1986. 11-238. Della Longa S, Arcovito A, Benfatto M et al. Physical Review Letters, 2001, 87: 155501(1-4)9. Benfatto M, Congiu-Castellano A, Della Longa S et al. J.Synchrotron Rad., 2001, 8: 267-26910. Benfattoa M, Della Longa S. J. Synchrotron Rad., 2001, 8:1087-109411. Benfatto M, Della Long S, Natoli C R. J. Synchrotron Rad.,2003, 10: 51-5712. Durham P, Pendry J B, Hodges C H. Comput. Phys. Commun., 1982, 25: 193-20013. Norman J G. Mol. Phys., 1976, 31: 1191-119814. Tyson T A, Hodgson K O, Benfatto M. Phys. Rev., 1992,B46: 5997-601915. Hedin L, Lundqvist S. Solid State Phys., 1969, 23: 1-18116. Benfatto M, Solera J A. Garcia J. Phys. Rev., 1997, B56:2447-245217. Rehr J J, Albers R C. Rev. Mod., Phys., 2000, 72: 621-65418. LI Y, REN S, GONG W. Acta Cryst. D., 2002, 58: 846-84819. LI Shu-Jun, ZHOU Zhao-Cai, WU Zi-Yu et al. J. Synchrotron Rad., 2005, 12: 111-11420. LI Y, CHEN Z, GONG W. Biochem Biophys Res Commun., 2002, 295(4): 884-889
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Get Citation
GUO Xiao-Yun, CHU Wang-Sheng, GONG Wei-Min, DONG Yu-Hui, XIE Ya-Ning, YANG Fei-Fei, Maurizio Benfatto and WU Zi-Yu. MXAN Analysis of the XANES Energy Region of LiPDF[J]. Chinese Physics C, 2007, 31(2): 199-203.
GUO Xiao-Yun, CHU Wang-Sheng, GONG Wei-Min, DONG Yu-Hui, XIE Ya-Ning, YANG Fei-Fei, Maurizio Benfatto and WU Zi-Yu. MXAN Analysis of the XANES Energy Region of LiPDF[J]. Chinese Physics C, 2007, 31(2): 199-203. shu
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Received: 2006-05-17
Revised: 2006-05-23
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MXAN Analysis of the XANES Energy Region of LiPDF

    Corresponding author: Maurizio Benfatto,
  • School of Life Science,University of Science and Technology of China, Hefei 230026, China2 Institute of High Energy Physics, CAS, Beijing 100049, China3 National Laboratory of Biomacromolecules, Institute of Biophysics,Chinese Academy of Sciences, Beijing 100101, China4 Instituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, P.O. Box 13, 00044, Frascati, Italy

Abstract: Leptospira interrogans peptide deformylase (LiPDF) is an important Zinc metalloprotein and plays a key role in protein synthesis of Leptospira interrogans, an ubiquitous environmental bacterium that can cause the infections of animals and humans. It is an attractive target for the design of new antibiotics since the deformyling apparently does not occur in the cytoplasm of eucaryotic cells. In this paper, we probed the protein in pH3.0 solution by X-ray absorption near-edge structure (XANES) spectroscopy. We quantitatively determined the local structure around the metal center using MXAN procedure, which is based on Multiple Scattering theory. The experimental XANES spectrum of LiPDF has been reconstructed perfectly using suitable initial structure mode, and the corresponding local structure of the active center provides structure information for understanding the pH-dependent enzymatic activity.

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