Transition-state structure of human 5′-methylthioadenosine phosphorylase

Journal of the American Chemical Society

Volumn 128, Issue 45, 2006, Pages 14691-14696

  Singh, Vipender ^a   Schramm, Vern L ^a  

^a ALBERT EINSTEIN COLLEGE OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; COMPUTER SIMULATION; ISOTOPES; PHOSPHATES; PROBABILITY DENSITY FUNCTION;

ARSENOLYSIS; DENSITY FUNCTIONAL THEORY; KINETIC ISOTOPE EFFECTS (KIE); TRANSITION STATE;

ENZYME KINETICS;

5' METHYLTHIOADENOSINE; 5' METHYLTHIOADENOSINE PHOSPHORYLASE; ADENINE; AMPHOLYTE; ANION; CARBON 14; CATION; HYDROXYL GROUP; NITROGEN 15; OXYGEN; PHOSPHATE; RIBOSE; TRITIUM;

ARTICLE; COMPUTER MODEL; DENSITY FUNCTIONAL THEORY; ENZYME ACTIVITY; ENZYME ANALYSIS; ENZYME CONFORMATION; ENZYME DEGRADATION; ENZYME KINETICS; ENZYME MODIFICATION; ENZYME STRUCTURE; ENZYME SUBUNIT; HUMAN; IONIZATION; ISOTOPE ANALYSIS; MATHEMATICAL COMPUTING; NONHUMAN;

CRYSTALLOGRAPHY, X-RAY; HUMANS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PROTEIN CONFORMATION; PURINE-NUCLEOSIDE PHOSPHORYLASE;

EID: 33750979005     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja065419p     Document Type: Article

References (23)

1. Singh, V.; Lee, J. E.; Nunez, S.; Howell, L. P.; Schramm, V. L. Biochemistry 2005, 44, 11647-11659.
2. Birck, M. R.; Schramm, V. L. J. Am. Chem. Soc. 2004, 126, 2447-2453.
3. Lewandowicz, A.; Schramm, V. L. Biochemistry 2004, 43, 1458-1468.
4. Lee, J. E.; Singh, V.; Evans, G. B.; Tyler, P. C.; Furneaux, R. H.; Cornell, K. A.; Riscoe, M. K.; Schramm, V. L.; Howell, P. L. J. Biol. Chem. 2005, 280, 18274-18273.
5. Singh, V.; Evans, G. B.; Lenz, D. H.; Painter, G. F.; Tyler, P. C.; Furneaux, R. H.; Lee, J. E.; Howell, P. L.; Schramm, V. L. J. Biol. Chem. 2005, 280, 18265-18273.
6. Shi, W.; Basso, L. A.; Santos, D. S.; Tyler, P. C.; Furneaux, R. H.; Blanchard, J. S.; Almo, A. C.; Schramm, V. L. Biochemistry 2001, 40, 8204-8215.
7. Frisch, M. J.; et al. Gaussian 03, Revision B.04; Gaussian, Inc.: Pittsburgh, PA, 2003.
8. Tabor, C. W.; Tabor, H. Methods Enzymol. 1983, 94, 294-297.
9. Singh, V.; Shi, W.; Evans, G. B.; Tyler, P. C.; Furneaux, R. H.; Schramm, V. L. Biochemistry 2004, 43, 9.
10. Harasawa, H.; Yamada, Y.; Kudoh, M.; Sugahara, K.; Soda, H.; Hirakata, Y.; Sasaki, H.; Ikeda, S.; Matsuo, T.; Tomonaga, M.; Nobori, T.; Kamihira, S. Leukemia 2002, 16, 1799.
11. Singh, V.; Shi, W.; Evans, G. B.; Tyler, P. C.; Furneaux, R. H.; Schramm, V. L. Biochemistry 2004, 43, 9-18.
12. Rose, I. A. Methods Enzymol. 1980, 64, 47-59.
13. (a) Anisimov, V.; Paneth, P. J. Math. Chem. 1999, 26, 75-86.
14. (b) Gawlita, E.; Lantz, M.; Paneth, P.; Bell, A. F.; Tonge, P. J.; Anderson, V. E. J. Am. Chem. Soc. 2000, 122, 11660-11669.
15. Flükiger, P.; Lüthi, H. P.; Portmann, S.; Weber, J. MOLEKEL 4.0; Swiss Center for Scientific Computing: Manno, Switzerland, 2000.
16. (a) Singh, V.; Schramm, V. L. J. Am. Chem. Soc., in revisions.
17. (b) Pu, J.; Ma, S.; Garcia-Viloca, M.; Gao, J.; Truhlar, D. G.; Kohen, A. J. Am. Chem. Soc. 2005, 127, 14879-14886.
18. 3H KIE has not yet been experimentally measured.
19. Parkin, D. W.; Mentch, F.; Banks, G. A.; Horenstein, B. A.; Schramm, V. L. Biochemistry 1991, 30, 4586-4594.
20. Berti, P. J.; Tanaka, K. S. E. Adv. Phys. Org. Chem. 2002, 37, 239-314.
21. Appleby, T. C.; Erion, M. D.; Ealick, S. E. Structure 1999, 7, 629-641.
22. Kung, P. P.; Zehnder, L. R.; Meng, J. J.; Kupchinsky, S. W.; Skalitzky, D.; Johnson, M. C.; Maegley, K. A.; Ekker, A.; Kuhn, L. A.; Rose, P. W.; Bloom, L. A. Bioorg. Med. Chem. Lett. 2005, 48, 2829-2833.
23. Schramm, V. L.; Shi, W. Curr. Opin. Struct. Biol. 2001, 11, 657-665.