Atomistic structure of monomolecular surface layer self-assemblies: Toward functionalized nanostructures

ACS Nano

Volumn 5, Issue 3, 2011, Pages 2288-2297

  Horejs, Christine ^a   Gollner, Harald ^a   Pum, Dietmar ^a   Sleytr, Uwe B ^a   Peterlik, Herwig ^b   Jungbauer, Alois ^a   Tscheliessnig, Rupert ^a  

^a UNIVERSITY OF NATURAL RESOURCES AND LIFE SCIENCES   (Austria)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

computer simulations; nanoarrays; protein structure; SAXS; self assembly; TEM

Indexed keywords

ASSEMBLY FEATURES; ATOMISTIC STRUCTURE; BASIC MATRICES; BOTTOM-UP DESIGN; CELL ENVELOPES; FUNCTIONALIZED NANOSTRUCTURES; IN-VITRO; LATTICE SYMMETRY; MOLECULAR CONSTRUCTION KIT; NANOARRAYS; NANOSCALE STRUCTURE; PROKARYOTIC CELLS; PROTEIN STRUCTURE; S-LAYERS; SAXS; SELF-ASSEMBLING; SMALL ANGLE X-RAY SCATTERING; STRUCTURAL MODELS; SURFACE LAYERS; TEM; THREE-DIMENSIONAL STRUCTURE; UNIT CELLS;

AMINO ACIDS; ASSEMBLY; COMPUTATIONAL METHODS; MODEL STRUCTURES; NANOSTRUCTURES; PROTEINS; SELF ASSEMBLY; SURFACE STRUCTURE; X RAY CRYSTALLOGRAPHY; X RAY SCATTERING;

COMPUTER SIMULATION;

MEMBRANE PROTEIN; NANOMATERIAL;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PROTEIN CONFORMATION; SURFACE PROPERTY; ULTRASTRUCTURE;

COMPUTER SIMULATION; MEMBRANE PROTEINS; MODELS, CHEMICAL; MODELS, MOLECULAR; NANOSTRUCTURES; PROTEIN CONFORMATION; SURFACE PROPERTIES;

EID: 79952918036     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn1035729     Document Type: Article

References (47)

1. Sleytr, U. B. Regular Arrays of Macromolecules on Bacterial Cell Walls: Structure, Chemistry, Assembly, and Function Int. Rev. Cytol. 1978, 53, 1-64 (Pubitemid 9258065)
2. Sleytr, U. B. Heterologous Reattachment of Regular Arrays of Glycoproteins on Bacterial Surfaces Nature 1975, 257, 400-402
3. Sleytr, U. B.; Messner, P.; Pum, D.; Sara, M. Crystalline Bacterial Cell Surface Layers (S-Layers): From Supramolecular Cell Structure to Biomimetics and Nanotechnology Angew. Chem., Int. Ed. 1999, 38, 1034-1054
4. Sara, M.; Sleytr, U. B. S-Layer Proteins J. Bacteriol. 2000, 182, 859-868 (Pubitemid 30075004)
5. Egelseer, E. M.; Ilk, N.; Pum, D.; Messner, P.; Schäffer, C.; Schuster, B.; Sleytr, U. B. Nanobiotechnological Applications of S-Layers. In Encyclopedia of Industrial Biotechnology: Bioprocess, Bioseparation, and Cell Technology; Flicking, M. C., Ed.; Wiley and Sons: Weinheim, Germany, 2009; pp 4424 - 4448.
6. Pavkov, T.; Oberer, M.; Egelseer, E. M.; Sara, M.; Sleytr, U. B.; Keller, W. Crystallization and Preliminary Structure Determination of the C-Terminal Truncated Domain of the S-Layer Protein SbsC Acta Crystallogr. Sect. D: Biol. Crystallogr. D 2003, 59, 1466-1468 (Pubitemid 36978314)
7. Pavkov, T.; Egelseer, E. M.; Tesarz, M.; Svergun, D. I.; Sleytr, U. B.; Keller, W. The Structure and Binding Behavior of the Bacterial Cell Surface Layer Protein SbsC Structure 2008, 16, 1226-1237
8. Howorka, S.; Sara, M.; Wang, Y.; Kuen, B.; Sleytr, U. B.; Lubitz, W.; Bayley, H. Surface-Accessible Residues in the Monomeric and Assembled Forms of a Bacterial Surface Layer Protein J. Biol. Chem. 2000, 275, 37876-37886 (Pubitemid 32004906)
9. Kinns, H.; Badelt-Lichtblau, H.; Egelseer, E. M.; Sleytr, U. B.; Howorka, S. Identifying Assembly-Inhibiting and Assembly-Tolerant Sites in the SbsB S-Layer Protein from Geobacillus stearothermophilus J. Mol. Biol. 2010, 395, 742-753
10. Fagan, R. P.; Albesa-Jove, D.; Qazi, O.; Svergun, D. I.; Brown, K. A.; Fairweather, N. F. Structural Insights into the Molecular Organization of the S-Layer from Clostridium difficile Mol. Microbiol. 2009, 71, 1308-1322
11. Norville, J. E.; Kelly, D. F.; Knight, T. F., Jr.; Belcher, A. M.; Walz, T. 7 Å Projection Map of the S-Layer Protein SbpA Obtained with Trehalose-Embedded Monolayer Crystals J. Struct. Biol. 2007, 160, 313-323 (Pubitemid 350101238)
12. Chung, S.; Shin, S.-H.; Bertozzi, C.; De Yoreo, J. Self-Catalyzed Growth of S Layers via an Amorphous-to-Crystalline Transition Limited by Folding Kinetics Proc. Natl. Acad. Sci. U.S.A. 2010, 107, 16536-16541
13. Whitelam, S. Control of Pathways and Yields of Protein Crystallization through the Interplay of Nonspecific and Specific Attractions Phys. Rev. Lett. 2010, 105, 088102-1-088102-4
14. Horejs, C.; Pum, D.; Sleytr, U. B.; Tscheliessnig, R. Structure Prediction of an S-Layer Protein by the Mean Force Method J. Chem. Phys. 2008, 128, 065106-1-065106-10
15. Horejs, C.; Pum, D.; Sleytr, U. B.; Peterlik, H.; Jungbauer, A.; Tscheliessnig, R. Surface Layer Protein Characterization by Small Angle X-ray Scattering and a Fractal Mean Force Concept: From Protein Structure to Nanodisk Assemblies J. Chem. Phys. 2010, 133, 175102-1-175102-8
16. Ilk, N.; Völlenkle, C.; Egelsser, E. M.; Breitwieser, A.; Sleytr, U. B.; Sara, M. Molecular Characterization of the S-Layer Gene, sbpA, of Bacillus sphaericus CCM 2177 and Production of a Functional S-Layer Fusion Protein with the Ability To Recrystallize in a Defined Orientation while Presenting the Fused Allergen Appl. Environ. Microbiol. 2002, 68, 3251-3260 (Pubitemid 34734018)
17. Badelt-Lichtblau, H.; Kainz, B.; Völlenkle, C.; Egelseer, E. M.; Sleytr, U. B.; Pum, D.; Ilk, N. Genetic Engineering of the S-Layer Protein SbpA of Lysinibacillus sphaericus CCM 2177 for the Generation of Functionalized Nanoarrays Bioconjugate Chem. 2009, 20, 895-903
18. Delcea, M.; Krastev, R.; Gutberlet, T.; Pum, D.; Sleytr, U. B.; Toca-Herrera, J. L. Thermal Stability, Mechanical Properties and Water Content of Bacterial Protein Layers Recrystallized on Polyelectrolyte Multilayers Soft Matter 2008, 4, 1414-1421 (Pubitemid 351875596)
19. Moreno-Flores, S.; Kasry, A.; Butt, H.-J.; Vavilala, C.; Schmittel, M.; Pum, D.; Sleytr, U. B.; Toca-Herrera, J. L. From Native to Non-Native Two-Dimensional Protein Lattices through Underlying Hydrophilic/Hydrophobic Nanoprotrusions Angew. Chem., Int. Ed. 2008, 120, 4785-4788
20. Ilk, N.; Küpcü, S.; Moncayo, G.; Klimt, S.; Ecker, R. C.; Hofer-Warbinek, R.; Egelseer, E. M.; Sleytr, U. B.; Sara, M. A Functional Chimaeric S-Layer-Enhanced Green Fluorescent Protein To Follow the Uptake of S-Layer-Coated Liposomes into Eukaryotic Cells Biochem. J. 2004, 379, 441-448 (Pubitemid 38570117)
21. Huber, C.; Egelseer, E. M.; Ilk, N.; Sleytr, U. B.; Sara, M. S-Layer-Streptavidin Fusion Proteins and S-Layer-Specific Heteropolysaccharides as Part of a Biomolecular Construction Kit for Application in Nanobiotechnology Microelectron. Eng. 2006, 83, 1589-1593
22. Völlenkle, C.; Weigert, S.; Ilk, N.; Egelseer, E. M.; Weber, V.; Loth, F.; Falkenhagen, D.; Sleytr, U. B.; Sara, M. Construction of a Functional S-Layer Fusion Protein Comprising an Immunoglobulin G-Binding Domain for Development of Specific Adsorbents for Extracorporeal Blood Purification Appl. Environ. Microbiol. 2004, 70, 1514-1521 (Pubitemid 38365133)
23. 2 with S-Layer-Supported Lipid Monolayers Langmuir 2003, 19, 3393-3397
24. Tang, J.; Ebner, A.; Badelt-Lichtblau, H.; Völlenkle, C.; Rankl, C.; Kraxberger, B.; Leitner, M.; Wildling, L.; Gruber, H. J.; Sleytr, U. B. et al. Recognition Imaging and Highly Ordered Molecular Templating of Bacterial S-Layer Nanoarrays Containing Affinity-Tags Nano Lett. 2008, 8, 4312-4319
25. Györvary, E.; Schroedter, A.; Talapin, D. V.; Weller, H.; Pum, D.; Sleytr, U. B. Formation of Nanoparticle Arrays on S-Layer Protein Lattices J. Nanosci. Nanotechnol. 2004, 4, 115-120 (Pubitemid 38594985)
26. Ilk, N.; Kosma, P.; Puchberger, M.; Egelseer, E. M.; Mayer, H. F.; Sleytr, U. B.; Sara, M. Structural and Functional Analyses of the Secondary Cell Wall Polymer of Bacillus sphaericus CCM 2177 That Serves as an S-Layer-Specific Anchor J. Bacteriol. 1999, 181, 7643-7646
27. Huber, C.; Ilk, N.; Rünzler, D.; Egelseer, E. M.; Weigert, S.; Sleytr, U. B.; Sara, M. The Three S-Layer-like Homology Motifs of the S-Layer Protein SbpA of Bacillus sphaericus CCM2177 Are Not Sufficient for Binding to the Pyruvylated Secondary Cell Wall Polymer Mol. Microbiol. 2005, 55, 197-205 (Pubitemid 40127896)
28. Kelley, L. A.; Sternberg, M. J. E. Protein Structure Prediction on the Web: A Case Study Using the Phyre Server Nat. Protoc. 2009, 4, 363-371
29. Amos, L. A.; Henderson, R.; Unwin, P. N. Three-Dimensional Structure Determination by Electron Microscopy of Two-Dimensional Crystals Prog. Biophys. Mol. Biol. 1982, 39, 183-231
30. Tang, J.; Badelt-Lichtblau, H.; Ebner, A.; Preiner, J.; Kraxberger, B.; Gruber, H. J.; Sleytr, U. B.; Ilk, N.; Hinterdorfer, P. Fabrication of Highly Ordered Gold Nanoparticle Arrays Templated by Crystalline Lattices of Bacterial S-Layer Protein ChemPhysChem 2008, 9, 2317-2320
31. Pleschberger, M.; Neubauer, A.; Egelseer, E. M.; Weigert, S.; Lindner, B.; Sleytr, U. B.; Muyldermans, S.; Sara, M. Generation of a Functional Monomolecular Protein Lattice Consisting of an S-Layer Fusion Protein Comprising the Variable Domain of a Camel Heavy Chain Antibody Bioconjugate Chem. 2003, 14, 440-448 (Pubitemid 36348668)
32. Huber, C.; Liu, J.; Egelseer, E. M.; Moll, D.; Knoll, W.; Sleytr, U. B.; Sara, M. Heterotetramers Formed by an S-Layer-Streptavidin Fusion Protein and Core-Streptavidin as a Nanoarrayed Template for Biochip Development Small 2006, 2, 142-150 (Pubitemid 43198009)
33. Sleytr, U. B.; Sara, M.; Küpcü, Z..; Messner, P. Structural and Chemical Characterization of S-Layers of Selected Strains of Bacillus stearothermophilus and Desulfotomaculum nigrificans Arch. Microbiol. 1986, 146, 19-24 (Pubitemid 17003185)
34. Messner, P.; Hollaus, F.; Sleytr, U. B. Paracrystalline Cell Wall Surface Layers of Different Bacillus stearothermophilus Strains Int. J. Syst. Bacteriol. 1984, 34, 202-210 (Pubitemid 14103610)
35. Altschul, S. F.; Madden, T. L.; Schäffer, A. A.; Zhang, J.; Zhang, Z.; Miller, W.; Lipman, D. J. Gapped BLAST and PSI-BLAST: A New Generation of Protein Database Search Programs Nucleic Acids Res. 1997, 25, 3389-3402 (Pubitemid 27359211)
36. McGuffin, L. J.; Bryson, K.; Jones, D. T. The PSIPRED Protein Structure Prediction Server Bioinformatics 2000, 16, 404-405 (Pubitemid 30417087)
37. Marsden, R. L.; McGuffin, L. J.; Jones, D. T. Rapid Protein Domain Assignment from Amino Acid Sequence Using Predicted Secondary Structure Protein Sci. 2002, 11, 2814-2824 (Pubitemid 35365248)
38. Garnier, J.; Gibrat, J.-F.; Robson, B. GOR Method for Predicting Protein Secondary Structure from Amino Acid Sequence Methods Enzymol. 1996, 266, 540-553
39. Geer, L. Y.; Domrachev, M.; Lipman, D. J.; Bryant, S. H. CDART: Protein Homology by Domain Architecture Genome Res. 2002, 12, 1619-1623 (Pubitemid 35175101)
40. Finn, R. D.; Mistry, J.; Tate, J.; Coggill, P.; Heger, A.; Pollington, J. E.; Gavin, O. L.; Gunesekaran, P.; Ceric, G.; Forslund, K. et al. The Pfam Protein Families Database Nucleic Acids Res. 2010, 38, 211-222
41. Plimpton, S. Fast Parallel Algorithms for Short-Range Molecular Dynamics J. Comput. Phys. 1995, 117, 1-19
42. Chandler, D. Introduction to Modern Statistical Mechanics; Oxford University Press: New York, 1987.
43. Otter, W. K.; Briels, W. J. The Calculation of Free-Energy Differences by Constrained Molecular-Dynamics Simulations J. Chem. Phys. 1998, 109, 4139-4146 (Pubitemid 128678625)
44. Jarzynski, C. Nonequilibrium Equality for Free Energy Differences Phys. Rev. Lett. 1997, 78, 2690-2693 (Pubitemid 127655287)
45. McQuarrie, D. A. Statistical Mechanics; University Science Books: Mill Valley, CA, 1976.
46. Tscheliessnig, R.; Geyrhofer, L.; Wendland, M.; Fischer, J. Adsorption from Oversaturated Aqueous Solution: Mean Force Molecular Simulations AIChE J. 2008, 54, 2479-2486
47. Glatter, O.; Kratky, O. Small Angle X-Ray Scattering; Academic Press: London, 1982.