Summary
Our studies for the identification of the natural calcium binding sites with both classic and pseudo EF-hand motifs in three EF-hand proteins have shown that natural calcium binding sites can be accurately relocated with Dezymer using a set of geometric descriptions of an ideal pentagonal bipyramid. The success of each constructed site can be ranked by the relative U(p) values. The searched native-like sites in three EF-hand proteins have the smallest deviation from the target geometry. Our work indicates that a useful method for searching calcium-binding sites in proteins has been established. It is possible to use established parameters to design novel calcium binding proteins.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Aramini, J.M., Drakenberg, T., Hiraoki, T., Ke, Y., Nitta, K. & Vogel, H.J., 1992, Calcium-43 NMR studies of calcium-binding lysozymes and alpha-lactalbumins. Biochemistry. 3 1:6761–8
Babu, Y.S., Bugg, C.E., & Cook W.J. 1988, Structure of calmodulin refined at 2.2 angstroms resolution, J. Mol. Biol. 204: 191.
Bryson J.W., Betz, S.F., Lu, H.S., Suich, D.J., Zhou, H.X, O’Neil KT & DeGrado W.F., 1995, Protein design: a hierchic approach. Science. 270:935–41.
Clarke, N.D. & Yuan, S.M., 1995. Metal search: a computer program that helps design tetrahedral metalbinding sites. Proteins 23(2):256–63.
Da Silva, J.J.R.F. & Williams, R.J.P., 1991, The biological chemistry of the elements: The inorganic chemistry of life.
Falke, J.J., Drake, S.K., Hazard, A.L., & Peersen, O.B. 1994. Molecular tuning of ion binding to calcium signaling proteins. Q Rev Biophys. 27:219–90.
Finn, B.E., Evenas, J., Drakenberg, T., Waltho, J.P., Thulin, E., & Forsen, S. 1995. Calcium-induced structural changes and domain autonomy in calmodulin. Nat. Struct. Biol. 2:777–83.
Glusker, J.P. 1991. Structural aspects of metal liganding to functional groups in proteins. Adv Protein Chem, 42:1–76.
Hellinga, H.W. 1998, The construction of metal centers in proteins by rational design. Fold Des 3:R1–8
Hellinga, H.W. & Richards, F.M. 1991. Construction of new ligand binding sites in proteins of known structure I. Comuter-aided modeling of sites with pre-defmed geometry. J. Mol. Biol. 222:763–785.
Kawasaki, H. & Kretsinger, R.H., 1995, Calcium-binding proteins 1: EF-hands. Protein Profile, 2(4):297–490.
Klemba, M., Gardner, K.H., Marino, S., Clarke, N.D. & Regan, L., 1995, Novel metal-binding proteins by design. Nat Struct Biol., 2(5):368–73.
Kretsinger, R.H., & Nockolds, C.E. 1973. Carp muscle calcium-binding protein. II. Structure determination and general description. J Biol Chem. 248:3313–26.
Kuboniwa, H., Tjandra, N., Grzesiek, S., Ren, H., Klee, C.B. & Bax, A. 1995. Solution structure of calcium-free calmodulin. Nature structure biology, 2:768–776.
Linse, S., & Forsen, S. 1995. Determinants that govern high-affmity calcium binding. Adv Second Messenger Phosphoprotein Res, 30:89–151.
Lu Y. & Valentine J.S., 1997, Engineering metal-binding sites in proteins. Curr Opin Struct Biol. 7:495–500.
Nayal, M. & Di Cera, E., 1994, Predicting Ca(2+)-binding sites in proteins. Proc Natl Acad Sci USA, 91(2):817–21.
Nelson, M.R. & Chazin, W.J., 1998, Structures of EF-hand Ca(2+)-binding proteins: diversity in the organization, packing and response to Ca2+ binding. Biometals 11(4):297–318.
Press, W.H., Flanery, B.P., Teukolsky, S.A. & Vetterling, W.T. 1988. Numerical Recipes in C. chap.10. Cambridge University Press. Cambridge.
Regan, L. 1993, The design of metal-binding sites in proteins. Annu Rev Biophys Biomol Struct., 22:257–87.
Regan, L., 1995, Protein design: novel metal-binding sites. Trends Biochem Sci., 20(7):280–5.
Regan, L. & Clarke, N.D., 1990, A tetrahedral zinc(II)-binding site introduced into a designed protein. Biochemistry, 29(49): 10878–83.
Schafer, B.W., & Heizmann, C.W. 1996, The S100 family of EF-hand calcium-binding proteins: functions and pathology. Trends Biochem Sci. 21: 134–40.
Shi, W., Dong, J., Scott, R.A., Ksenzenko, M.Y. & Rosen, B.P., 1996, The role of arsenic-thiol interactions in metalloregulation of the ars operon. J Biol Chem, 271(16):9291–7.
Strynadka, N.C. & James, M.N. 1989, “Crystal structures of the helix-loop-helix calcium-binding proteins”, Annu Rev Biochem. 58:951–98.
Svensson, L.A., Thulin, E., and Forsen, S. 1992, Proline cis-trans isomers in calbindinD9k observed by X-ray crystallography. J Mol. Biol., 223:601.
Swain, A. L., Kretsinger R. H. & Amma, E.L. 1989, Refinement of native (calcium) and cadmium-substituted carp parvalbumin using X-Ray crystallogaphic data at 1.6 angstroms resolution. J. Biol. Chem. 264:16620.
Toma, S., Campagnoli, S., Margarit, I., Gianna, R., Grandi, G., Bolognesi, M., Filippis, i.D., & Fontana, A. 1991, Grafting of a calcium-binding loop of thermolysin to Bacillus Subtilis neutral protease. Biochemistry, 30: 97–106.
Yamashita, M.M., Wesson, L., Eisenman, G., Eisenberg, D., 1990, Where metal ions bind in proteins. Proc Natl Acad Sci US A, 87(15):5648–52.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2002 Kluwer Academic Publishers
About this chapter
Cite this chapter
Yang, W., Lee, HW., Pu, M., Hellinga, H., Yang, J.J. (2002). Identifying and Designing of Calcium Binding Sites in Proteins by Computational Algorithm. In: Dadmun, M.D., Van Hook, W.A., Noid, D.W., Melnichenko, Y.B., Sumpter, B.G. (eds) Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems. Springer, Boston, MA. https://doi.org/10.1007/0-306-47110-8_12
Download citation
DOI: https://doi.org/10.1007/0-306-47110-8_12
Publisher Name: Springer, Boston, MA
Print ISBN: 978-0-306-46549-9
Online ISBN: 978-0-306-47110-0
eBook Packages: Springer Book Archive