Lys169 of human glucokinase is a determinant for glucose phosphorylation: Implication for the atomic mechanism of glucokinase catalysis

PLoS ONE

Volumn 4, Issue 7, 2009, Pages

  Zhang, Jian ^a   Li, Chenjing ^a   Shi, Ting ^a   Chen, Kaixian ^a   Shen, Xu ^a,b   Jiang, Hualiang ^a,b  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

^b EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADENOSINE TRIPHOSPHATE; GLUCOKINASE; GLUCOSE; LYSINE; LYSINE 169; MAGNESIUM ION; UNCLASSIFIED DRUG; PRIMER DNA;

ARTICLE; CARBOHYDRATE ANALYSIS; CATALYSIS; ENZYME ANALYSIS; ENZYME KINETICS; GLUCOSE METABOLISM; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; MUTAGENESIS; NONHUMAN; PROTEIN FUNCTION; QUANTUM MECHANICS; BIOCATALYSIS; CHEMICAL STRUCTURE; CHEMISTRY; CIRCULAR DICHROISM; ENZYME ACTIVE SITE; HUMAN; METABOLISM; NUCLEOTIDE SEQUENCE; PHOSPHORYLATION; POLYMERASE CHAIN REACTION; QUANTUM THEORY; SPECTROFLUOROMETRY; VALIDATION STUDY;

BASE SEQUENCE; BIOCATALYSIS; CATALYTIC DOMAIN; CIRCULAR DICHROISM; DNA PRIMERS; GLUCOKINASE; GLUCOSE; HUMANS; LYSINE; MODELS, MOLECULAR; PHOSPHORYLATION; POLYMERASE CHAIN REACTION; QUANTUM THEORY; SPECTROMETRY, FLUORESCENCE;

EID: 67651083215     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0006304     Document Type: Article

References (53)

1. Al-Hasani H, Tschop MH, Cushman SW (2003) Two birds with one stone: novel glucokinase activator stimulates glucose-induced pancreatic insulin secretion and augments hepatic glucose metabolism. Mol Interv 3: 367-370.
2. Van Schaftingen E (1994) Short-term regulation of glucokinase. Diabetologia 37 Suppl 2: S43-47.
3. Matschinsky FM, Glaser B, Magnuson MA (1998) Pancreatic beta-cell glucokinase: closing the gap between theoretical concepts and experimental realities. Diabetes 47: 307-315.
4. Vionnet N, Stoffel M, Takeda J, Yasuda K, Bell GI, et al. (1992) Nonsense mutation in the glucokinase gene causes early-onset non-insulin-dependent diabetes mellitus. Nature 356: 721-722.
5. Froguel P, Zouali H, Vionnet N, Velho G, Vaxillaire M, et al. (1993) Familial hyperglycemia due to mutations in glucokinase. Definition of a subtype of diabetes mellitus. N Engl J Med 328: 697-702.
6. Glaser B, Kesavan P, Heyman M, Davis E, Cuesta A, et al. (1998) Familial hyperinsulinism caused by an activating glucokinase mutation. N Engl J Med 338: 226-230.
7. Christesen HB, Jacobsen BB, Odili S, Buettger C, Cuesta-Munoz A, et al. (2002) The second activating glucokinase mutation (A456V): implications for glucose homeostasis and diabetes therapy. Diabetes 51: 1240-1246.
8. Grossbard L, Schimke RT (1966) Multiple hexokinases of rat tissues. Purification and comparison of soluble forms. J Biol Chem 241: 3546-3560.
9. Gloyn AL, Odili S, Zelent D, Buettger C, Castleden HA, et al. (2005) Insights into the structure and regulation of glucokinase from a novel mutation (V62M), which causes maturity-onset diabetes of the young. J Biol Chem 280: 14105-14113.
10. Kantrowitz ER, Lipscomb WN (1988) Escherichia coli aspartate transcarbamylase: the relation between structure and function. Science 241: 669-674.
11. Barford D, Johnson LN (1989) The allosteric transition of glycogen phosphorylase. Nature 340: 609-614.
12. Schirmer T, Evans PR (1990) Structural basis of the allosteric behaviour of phosphofructokinase. Nature 343: 140-145.
13. Iwata S, Kamata K, Yoshida S, Minowa T, Ohta T (1994) T and R states in the crystals of bacterial L-lactate dehydrogenase reveal the mechanism for allosteric control. Nat Struct Biol 1: 176-185.
14. MacRae IJ, Segel IH, Fisher AJ (2002) Allosteric inhibition via R-state destabilization in ATP sulfurylase from Penicillium chrysogenum. Nat Struct Biol 9: 945-949.
15. Kamata K, Mitsuya M, Nishimura T, Eiki J, Nagata Y (2004) Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase. Structure 12: 429-438.
16. Zhang J, Li C, Chen K, Zhu W, Shen X, et al. (2007) Conformational transition pathway in the allosteric process of human glucokinase. Proc Natl Acad Sci USA 103: 13368-13373.
17. Zelent B, Odili S, Buettger C, Shiota C, Grimsby J, et al. (2008) Sugar binding to recombinant wild-type and mutant glucokinase monitored by kinetic measurement and tryptophan fluorescence. Biochem J 413: 269-280.
18. Printz RL, Granner DK (2005) Tweaking the glucose sensor: adjusting glucokinase activity with activator compounds. Endocrinology 146: 3693-3695.
19. Postic C, Shiota M, Magnuson MA (2001) Cell-specific roles of glucokinase in glucose homeostasis. Recent Prog Horm Res 56: 195-217.
20. Gloyn AL (2003) Glucokinase (GCK) mutations in hyper- and hypoglycemia: maturity-onset diabetes of the young, permanent neonatal diabetes, and hyperinsulinemia of infancy. Hum Mutat 22: 353-362.
21. Kamata K, Mitsuya M, Nishimura T, Eiki J, Nagata Y (2004) Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase. Structure 12: 429-438.
22. Mahalingam B, Cuesta-Munoz A, Davis EA, Matschinsky FM, Harrison RW, et al. (1999) Structural model of human glucokinase in complex with glucose and ATP: implications for the mutants that cause hypo- and hyperglycemia. Diabetes 48: 1698-1705.
23. Marotta DE, Anand GR, Anderson TA, Miller SP, Okar DA, et al. (2005) Identification and characterization of the ATP-binding site in human pancreatic glucokinase. Arch Biochem Biophys 436: 23-31.
24. Miller SP, Anand GR, Karschnia EJ, Bell GI, LaPorte DC, et al. (1999) Characterization of glucokinase mutations associated with maturity-onset diabetes of the young type 2 (MODY-2): different glucokinase defects lead to a common phenotype. Diabetes 48: 1645-1651.
25. St Charles R, Harrison RW, Bell GI, Pilkis SJ, Weber IT (1994) Molecular model of human beta-cell glucokinase built by analogy to the crystal structure of yeast hexokinase B. Diabetes 43: 784-791.
26. Xu LZ, Weber IT, Harrison RW, Gidh-Jain M, Pilkis SJ (1995) Sugar Specificity of Human .beta.-Cell Glucokinase: Correlation of Molecular Models with Kinetic Measurements. Biochemistry 34: 6083-6092.
27. Bork P, Sander C, Valencia A (1992) An ATPase domain common to prokaryotic cell cycle proteins, sugar kinases, actin, and hsp70 heat shock proteins. Proc Natl Acad Sci USA 89: 7290-7294.
28. Aleshin AE, Kirby C, Liu X, Bourenkov GP, Bartunik HD, et al. (2000) Crystal structures of mutant monomeric hexokinase I reveal multiple ADP binding sites and conformational changes relevant to allosteric regulation. J Mol Biol 296: 1001-1015.
29. Aleshin AE, Zeng C, Bartunik HD, Fromm HJ, Honzatko RB (1998) Regulation of hexokinase I: crystal structure of recombinant human brain hexokinase complexed with glucose and phosphate. J Mol Biol 282: 345-357.
30. Janne M, Lise B, Oddmund S, Pål RN, Torgeir F (2008) Catalytic activation of human glucokinase by substrate binding-residue contacts involved in the binding of D-glucose to the super-open form and conformational transitions. FEBS J 275: 2467-2481.
31. Pilkis SK, Weber IT, Harrison RW, Bell GI (1994) Glucokinase: structural analysis of a protein involved in susceptibility to diabetes. J Biol Chem 269: 21925-21928.
32. Barrio R, et al. (2002) Nine Novel Mutations in Maturity-Onset Diabetes of the Young (MODY) Candidate Genes in 22 Spanish Families. J Clin Endocrinol Metab 87: 2532-2539.
33. Davis EA, Cuesta-Muñoz A, Raoul M, Buettger C, Sweet I, et al. (1999) Mutants of glucokinase cause hypoglycaemia- and hyperglycaemia syndromes and their analysis illuminates fundamental quantitative concepts of glucose homeostasis. Diabetologia 42: 1175-1186.
34. Sener A, Malaisse-Lagae F, Xu LZ, Pilkis SJ, Malaisse WJ (1996) Anomeric specificity of the native and mutant forms of human b-Cell glucokinase. Arch Biochem Biophys 328: 26-34.
35. Frisch MJ (2003) Gaussian 03, revision B.05 Gaussian, Inc.
36. Gidh-Jain M, Takeda J, Xu LZ, Lange AJ, Vionnet N, et al. (1993) Glucokinase mutations associated with non-insulin-dependent (type 2) diabetes mellitus have decreased enzymatic activity: implications for structure/function relationships. Proc Natl Acad Sci USA 90: 1932-1936.
37. Berendsen HJC, Postma JPM, van Gunsteren WF, Hermans J (1981) Intermolecular Forces. Reidel Publishing Company Dordrecht. pp 331-342.
38. Bayly CI, Cieplak P, Cornell WD, Kollman PA (1993) A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model. J Phys Chem 97: 10269-10280.
39. Case DA, Cheatham TE 3rd, Darden T, Gohlke H, Luo R, et al. (2005) The Amber biomolecular simulation programs. J Comput Chem 26: 1668-1688.
40. Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, et al. (1995) A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules. J Am Chem Soc 117: 5179-5197.
41. Darden T, York D, Pedersen L (1993) Particle mesh Ewald: An N·log(N) method for Ewald sums in large systems. J Chem Phys 98: 10089-10092.
42. Ryckaert JP, Ciccotti G, Berendsen JC (1977) Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes. J Comput Phys 23: 327-341.
43. Berendsen HJC, Postma JPM, van Gunsteren WF, DiNola A, Haak JR (1984) Molecular dynamics with coupling to an external bath. J Chem Phys 81: 3684-3690.
44. Dapprich S, Komaromi I, Byun KS, Morokuma K, Frisch MJ (1999) A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives. J Mol Struct: THEOCHEM 462: 1-21.
45. -. J Chem Phys 105: 1959-1967.
46. Kuno M, Hannongbua S, Morokuma K (2003) Theoretical investigation on nevirapine and HIV-1 reverse transcriptase binding site interaction, based on ONIOM method. Chem Phys Lett 380: 456-463.
47. Maseras F, Morokuma K (1995) IMOMM: A new integrated ab initio+molecular mechanics geometry optimization scheme of equilibrium structures and transition states. J Comput Chem 16: 1170-1179.
48. 2 Oxidative Addition. J Phys Chem 100: 19357-19363.
49. Svensson M, Humbel S, Morokuma K (1996) Energetics using the single point IMOMO (integrated molecular orbital+molecular orbital) calculations: Choices of computational levels and model system. J Chem Phys 105: 3654-3661.
50. Vreven T, Morokuma K (2000) On the application of the IMOMO (integrated molecular orbital+molecular orbital) method. J Comput Chem 21: 1419-1432.
51. Vreven T, Mennucci B, da Silva CO, Morokuma K, Tomasi J (2001) The ONIOM-PCM method: Combining the hybrid molecular orbital method and the polarizable continuum model for solvation. Application to the geometry and properties of a merocyanine in solution. J Chem Phys 115: 62-72.
52. Vreven T, Morokuma K, Farkas O, Schlegel HB, Frisch MJ (2003) Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. J Comput Chem 24: 760-769.
53. Grimsby J, Sarabu R, Corbett WL, Haynes NE, Bizzarro FT, et al. (2003) Allosteric activators of glucokinase: potential role in diabetes therapy. Science 301: 370-373.