Structural insights into the binding of uranyl with human serum protein apotransferrin structure and spectra of protein-uranyl interactions

Chemical Research in Toxicology

Volumn 22, Issue 9, 2009, Pages 1613-1621

  Benavides Garcia, Maria G ^a   Balasubramanian, Krishnan ^b,c,d  

^a UNIVERSITY OF HOUSTON DOWNTOWN   (United States)

^b CALIFORNIA STATE UNIVERSITY   (United States)

^c LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^d LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APOTRANSFERRIN; URANYL ACETATE;

AB INITIO CALCULATION; ARTICLE; BINDING SITE; BLOOD BRAIN BARRIER; CHEMICAL STRUCTURE; GEOMETRY; HUMAN; HYDROGEN BOND; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE;

APOPROTEINS; BINDING SITES; BLOOD-BRAIN BARRIER; HUMANS; HYDROGEN BONDING; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SPECTROPHOTOMETRY, INFRARED; TRANSFERRIN; URANIUM;

EID: 70349345890     PISSN: 0893228X     EISSN: 15205010     Source Type: Journal    
DOI: 10.1021/tx900184r     Document Type: Article

References (46)

1. Taylor, D. M., and Taylor, S. K. (1997) Environmental uranium and human health. Rev. Environ. Health 12, 147-157.
2. Mordasheva, V. V. (2004) Long-term intake of uranium and its distribution in human organs and tissues. Med. Radiol. Radiats. Bezop. 49, 5-12.
3. Ghosh, S., Kumar, A., Pandey, B. N., and Mishra, K. P. (2007) Acute exposure of uranyl nitrate causes lipid peroxidation and histopathological damage in brain and bone of Wister rat. J. Environ. Pathol., Toxicol. Oncol. 26, 255-261.
4. Lestaevel, P., Houpert, P., Bussy, C., Dhieux, B., Gourmelon, P., and Paquet, F. (2005) The brain is a target organ after acute exposure to depleted uranium. Toxicology 212, 219-226. (Pubitemid 40981977)
5. Lemercier, V., Millot, X., Ansoborlo, E., Menetrier, F., Flury-Herard, A., Rousselle, Ch., and Scherrmann, J. M. (2003) Study of uranium transfer across the blood-brain barrier. Radiat. Prot. Dosim. 105, 243-245. (Pubitemid 37161228)
6. Houpert, P., Frelon, S., Monleau, M., Bussy, C., Chazel, V., and Paquet, F. (2007) Homogeneous accumulation of uranium in the brain of rats. Radiat. Prot. Dosim. 127, 84-89.
7. Taylor, D. M. (1998) The bioinorganic chemistry of actinides in blood. J. Alloys Compd. 271-273, 6-10.
8. Vidaud, C., Dedieu, A., Basset, C., Plantevin, S., Dany, I., Pible, O., and Quémémeur, E. (2005) Screening of human serum proteins for uranium binding. Chem. Res. Toxicol. 18, 946-953. (Pubitemid 40880883)
9. Harris, W. R. (1998) Binding and transport of nonferrous metals by serum transferrin. Struct. Bonding (Berlin) 92, 7919-7928.
10. Sun, H., Li, H., and Sadler, P. J. (1999) Transferrin as a metal ion mediator. Chem. Rev. 99, 2817-2842.
11. Wally, J., Hallbrooks, P. J., Vonrhein, C., Rould, M. A., Everse, S. J., Mason, A. B., and Buchanan, S. K. (2006) The crystal structure of iron-free human serum transferring provides insight into inter-lobe communication and receptor binding. J. Biol. Chem. 281, 24934-24944. (Pubitemid 44274264)
12. 2+ to apotransferrin: Can this protein account for entry of uranium into human cells. Biochemistry 46, 2214-2226.
13. MacGillivray, R. T., Moore, S. A., Chen, J., Anderson, B. F., Baker, H., Luo, T., Bewley, M., Smith, C. A., Murphy, M. E., Wang, T., Mason, A. B., Woodworth, R. C., Brayer, G. D., and Baker, E. N. (1998) Two high-resolution crystal structures of the recombinant N-lobe of human transferrin reveal a structural change implicated in iron release. Biochemistry 37, 7919-7928. (Pubitemid 28307052)
14. Sutton, M., and Burastero, S. R. (2004) Uranium (IV) solubility and speciation in simulated elemental biological fluids. Chem. Res. Toxicol. 17, 1468-1480. (Pubitemid 39532316)
15. Grossmann, J. G., Crawley, J. B., Strange, R. W., Patel, K. J., Murphy, L. M., Neu, M., Evans, R. W., and Hasnain, S. S. (1998) The nature of ligand induced conformational change in transferrin in solution. An investigation using X-ray scattering, XAFS and site-directed mutants. J. Mol. Biol. 279, 461-472. (Pubitemid 28263983)
16. Scapolan, S., Ansoborlo, Moulin, C., and Madic, C. (1998) Investigations by time-resolved laser-induced fluorescence and capillary electrophoresis of the uranyl-phosphate species: application to blood serum. J. Alloys Compd. 271-273, 106-111. (Pubitemid 128424927)
17. Barnett, D. J., Parker, C. L., Blodgett, D. W., Wierzba, R. K., and Links, J. M. (2006) Understanding radiologic and nuclear terrorism as public health threats: preparedness and response perspectives. J. Nucl. Med. 47, 1653-1661.
18. 2+. Chem. Phys. Lett. 432, 259-263.
19. Balasubramanian, K., Khokhani, K., and Basak, S. C. (2006) Complex graph matrix representations and characterizations of proteomic maps and chemically induced changes to proteomes. J. Proteome Res. 5 (5), 1133-1142. (Pubitemid 43727791)
20. Gute, B. D., Balasubramanian, K., Geiss, K. T., and Basak, S. C. (2004) Prediction of halocarbon toxicity from structure: A hierarchical QSAR approach. Environ. Toxicol. Pharmacol. 16 (1-2), 121-129. (Pubitemid 38314899)
21. Basak, S. C., Grunwald, G. D., Gute, B. D., Balasubramanian, K., and Opitz, D. (2000) Use of statistical and neural net approaches in predicting toxicity of chemicals. J. Chem. Inf. Comput. Sci. 40 (4), 885-890.
22. Basak, S. C., Mills, D., Gute, B. D., and Hawkins, D. M. (2003) Predicting mutagenicity of congeneric and diverse sets of chemicals using computed molecular descriptors: A hierarchical approach. In Quantitative Structure-Activity Relationship (QSAR) Models of Mutagens and Carcinogens (Benigni, R., Ed.) Chapter 7, pp 207-234, CRC Press, Boca Raton, FL.
23. Basak, S. C., Mills, D., Gute, B. D., Grunwald, G. D., and Balaban, A. T. (2002) Applications of topological indices in the property/ bioactivity/ toxicity prediction of chemicals. In Topology in Chemistry: Discrete Mathematics of Molecules (Rouvray, D. H., King, R. B., Eds.) pp 113-184, Horwood Publishing Ltd., Chichester, West Sussex, United Kingdom.
24. Randic, M., Zupan, J., and Balaban, A. T. (2004) Unique graphical representation of protein sequences based on nucleotide triplet codons. Chem. Phys. Lett. 397, 247-252.
25. Ilies, M. A., Seitz, W. A., Ghiviriga, I., Johnson, B. H., Miller, A., Thompson, E. B., and Balaban, A. T. (2004) Pyridinium cationic lipids in gene delivery: A structure-activity correlation study. J. Med. Chem. 47, 3744-3754. (Pubitemid 38900341)
26. Pible, O., Guilbaud, P., Pellequer, J.-L., Vidaud, C., and Quéméneur, E. (2006) Structural insights into protein-uranyl interactions: Towards an in silico detection method. Biochimie 88, 1631-1638. (Pubitemid 44768091)
27. Parr, R. G., and Yang, W. (1989) Density Functional Theory of Atoms and Molecules, Oxford University Press, New York.
28. Becke, A. D. (1993) Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 98, 5648-5652.
29. Vosko, S. H., Wilk, L., and Nusair, M. (1980) Accurate spin-dependent electron liquid correlation energies for local spin density calculations: A critical analysis. Can. J. Phys. 58, 1200-1211.
30. Stephens, P. J., Devlin, I. J., Chabalowski, C. F., and Frish, M. J. (1994) Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields. J. Phys. Chem. 98, 11623-11627.
31. Balasubramanian, K. (1997) Relativistic Effects in Chemistry. Parts A & B, Wiley-Interscience, New York, NY.
32. Ermler, W. C., Ross, R. B., and Christiansen, P. A. (1991) Ab initio relativistic effective core potentials with spin-orbit operators. VI. Fr through Pu. Int. J. Quantum Chem. 40, 829-846.
33. Pacios, L. F., and Christiansen, P. A. (1985) Ab initio relativistic effective core potentials with spin-orbit operators. I. Li through Ar. J. Chem. Phys. 82, 2664-2671.
34. Dunning, T. H., and Hay, P. J. (1977) Methods of Electronic Structure Theory, Phenum, New York.
35. Van Duijneveldt, F. B. (1971) IBM Tech. Res. Rep. RF1971, 945.
36. 2+ complexes (n = 4-6) in aqueous solution and gas phase. J. Chem. Phys. 123, 114309.
37. +). Mol. Phys. 103, 931-938.
38. 3. nH2O (n = 1-3). Chem. Phys. Lett. 372, 232-241.
39. 2O. Inorg. Chem. 34, 4797-4807.
40. Wahlgreen, U., Moll, H., Grenthe, I., Schimmelpfennig, B., Maron, L., Vallet, V., and Gropen, O. (1999) Structure of unarium (VI) in strong alkaline solutions. A combined theoretical and experimental investigation. J. Phys. Chem. A 103, 8257-8264. (Pubitemid 129579475)
41. Frisch, M. J., et al. (2003) GAUSSIAN 03, revision C.02, Gaussian, Inc., Pittsburgh, PA.
42. Cleland, W. W., and Krevoy, M. M. (1994) Low-barrier hydrogen bond and enzymic catalysis. Science 242, 1887-1890.
43. Clark, D. L., Hobart, D. E., and Neu, M. P. (1995) Actinide carbonate complexes and their importance in actinide environmental chemistry. Chem. Rev. 95, 25-48.
44. Toth, L. M., and Begun, G. M. (1981) Raman spectra of uranyl ion and its hydrolysis products in aqueous nitric acid. J. Phys. Chem. 85, 547-549.
45. Adenot, M., and Lahana, R. (2004) Blood-brain barrier permeation models: Discrimination between potential CNS and non-CNS drugs including P-glycoprotein substrates. J. Chem. Inf. Comput. Sci. 44, 239-248.
46. Rozas, I., Du, Q., and Arteca, G. A. (1995) Interrelation between electrostatic and lipophilicity potentials on molecular surfaces. J. Mol. Graphics 13, 98-108.