Computational Molecular Biology

Protein Structural Motifs

Douglas L. Brutlag

November 5, 2009

Protein Fold References

Brenner, S. E., Chothia, C., Hubbard, T. J. and Murzin, A. G. (1996). Understanding protein structure: using scop for fold interpretation. Methods Enzymol, 266, 635-43.

Bryant, S. H. and Lawrence, C. E. (1993). An empirical energy function for threading protein sequence through the folding motif. Proteins, 16(1), 92-112.

Chothia, C. (1992). One thousand folds for the molecular biologist. Nature 257:543-544.

Chothia, C. and Lesk, A. M. (1986). The relation between the divergence of sequence and structure in proteins. Embo J, 5(4), 823-6.

Chothia, C. and Lesk, A. M. (1987). The evolution of protein structures. Cold Spring Harb Symp Quant Biol, 52, 399-405.

Chothia, C., Lesk, A. M., Levitt, M., Amit, A. G., Mariuzza, R. A., Phillips, S. E. and Poljak, R. J. (1986). The predicted structure of immunoglobulin D1.3 and its comparison with the crystal structure. Science, 233(4765), 755-8.

Chothia, C., Lesk, A. M., Tramontano, A., Levitt, M., Smith, G. S., Air, G., Sheriff, S., Padlan, E. A., Davies, D., Tulip, W. R. and et, a. l. (1989). Conformations of immunoglobulin hypervariable regions. Nature, 342(6252), 877-83.

Crippen, G. M. (1996). Failures of inverse folding and threading with gapped alignment. Proteins, 26(2), 167-71.

Fischer, D., Rice, D., Bowie, J. U. and Eisenberg, D. (1996). Assigning amino acid sequences to 3-dimensional protein folds. Faseb J, 10(1), 126-36.

Holm, L. & Sander, C. (1996). The FSSP database: fold classification based on structure-structure alignment of proteins. Nucleic Acids Research 24(1):206-209.

Johnson, M. S., May, A. C., Rodionov, M. A. and Overington, J. P. (1996). Discrimination of common protein folds: application of protein structure to sequence/structure comparisons. Methods Enzymol, 266, 575-98.

Jones, D. and Thornton, J. (1993). Protein fold recognition. J Comput Aided Mol Des, 7(4), 439-56.

Jones, D. T., Miller, R. T. and Thornton, J. M. (1995). Successful protein fold recognition by optimal sequence threading validated by rigorous blind testing. Proteins, 23(3), 387-97.

Lesk, A. (1991). Protein Architecture: A Practical Approach . Oxford: IRL Press at Oxford University Press.

Lesk, A. M., Branden, C. I. and Chothia, C. (1989). Structural principles of alpha/beta barrel proteins: the packing of the interior of the sheet. Proteins, 5(2), 139-48.

Lesk, A. M. and Chothia, C. (1980). How different amino acid sequences determine similar protein structures: the structure and evolutionary dynamics of the globins. J Mol Biol, 136(3), 225-70.

Luthy, R., Bowie, J. U. and Eisenberg, D. (1992). Assessment of protein models with three-dimensional profiles. Nature, 356(6364), 83-85.

Miller, R. T., Jones, D. T. and Thornton, J. M. (1996). Protein fold recognition by sequence threading: tools and assessment techniques. Faseb J, 10(1), 171-8.

Orengo, C.A., Michie, A.D., Jones, S., Jones, D.T., Swindells, M.B., and Thornton, J.M. (1997) CATH- A Hierarchic Classification of Protein Domain Structures. Structure. 5(8), 1093-1108.

Rice, D. W. and Eisenberg, D. (1997). A 3D-1D substitution matrix for protein fold recognition that includes predicted secondary structure of the sequence. J Mol Biol, 267(4), 1026-38.

Rost, B., Schneider, R. and Sander, C. (1997). Protein fold recognition by prediction-based threading. J Mol Biol, 270(3), 471-80.

Srinivasan, R. and Rose, G. D. (1995). LINUS: a hierarchic procedure to predict the fold of a protein. Proteins, 22(2), 81-99.

Westhead, D. R., Collura, V. P., Eldridge, M. D., Firth, M. A., Li, J. and Murray, C. W. (1995). Protein fold recognition by threading: comparison of algorithms and analysis of results. Protein Eng, 8(12), 1197-1204.

Wolynes, P. G., Onuchic, J. N. and Thirumalai, D. (1995). Navigating the folding routes [see comments]. Science, 267(5204), 1619-20.

Yue, K., Fiebig, K. M., Thomas, P. D., Chan, H. S., Shakhnovich, E. I. and Dill, K. A. (1995). A test of lattice protein folding algorithms. Proc Natl Acad Sci U S A, 92(1), 325-9.

Protein Structure Superposition References

Arun, K.S., Huang, T.S., & Blostein, S.D. (1987). Least-squares fitting of two 3-D point sets. IEEE Transactions on Pattern Analysis and Machine Intelligence 9(5), 698-700.

Barakat, M.T. & Dean, P.M. (1991). Molecular structure matching by simulated annealing, III. The incorporation of null correspondences into the matching problem. J. Comp.-Aided Mol. Design, 5, 107-117.

Bashford, D., Chothia, C, & Lesk, A.M. (1987). Determinants of a protein fold: Unique features of the globin amino acid sequences. J. Mol. Biol., 196, 199-216.

Falicov, A & Cohen, F.E. (1996). A surface of minimum area metric for the structural comparison of proteins. J. Mol. Biol, 258, 871-892.

Gerstein, M & Levitt, M. (1996). Using ierative dynamic programming to obtain accurate pairwise and multiple alignments of protein structures." Proceedings of ISMB, 96, 59-67.

Godzik, A. & Skolnick, J. (1994). Flexible algorithms for direct multiple alignment of protein structures and sequences. CABIOS 10,587-596.

Holm, L. & Sander, C. (1996). Mapping the protein universe. Science, 273, 595-602.

Holm, L. & Sander, C. (1993). Protein structure comparison by alignment of distance matrices. J. Mol. Biol., 233, 123-138.

Horn, B.K.P (1987). Closed-form solution of absolute orientation using unit quaternions. J. Opt. Soc. Am., 4(4), 629-642.

Horn, B.K.P, Hilden, H.M., & Negahdaripour, S. (1988). Closed-form solution of absolute orientation using orthonormal matrices. J. Opt. Soc. Am., 5(7), 1127-1135.

Kabsch, W. & Sander, C. (1983). Dictionary of protein secondary structure: Pattern recognition of hydrogen bonded and geometrical features. Biopolymers 22, 2577-2637.

Mitchell, E.M., Artymiuk, P.J., Rice, D.W., & Willett, P. (1989). Use of techniques derived from graph theory to compare secondary structure motifs in proteins. J. Mol. Biol. 212:151-166.

Orengo, C.A. & Taylor, W.R., 1996. SSAP: Sequential Structure Alignment Program for protein structure comparison. Meth. in Enzym., 266, 617-635.

Orengo C.A., Flores, T.P., Taylor, W.R., & Thornton J.M. (1993). Identification and classification of protein fold families. Protein Eng., 6, 485-500.

Russel, R.B. & Barton, G.B. (1993). Multiple protein sequence alignment from tertiary structure comparisons: Assignment of global and residue confidence levels. Proteins: Struct. Funct. Genet. 14, 309-323.

Sali, A. & Blundel, T. (1990). Definition of general topological equivalence in protein structures: A procedure involving comparison of properties and relationships through simulated annealing and dynamic programming. J. Mol. Biol. 212, 403-428.

Subbiah, S., Laurents, D.V., & Levitt, M., 1993. Structural similarity of DNA-binding domains of bacteriophage repressors and the globin core. Current Biology 3(3), 141-148.

Taylor, W. & Orengo, C. (1989). Protein structure alignment. J. Mol. Biol. 208, 1-22.

Vriend, G. and Sander, C. (1991). Detection of common 3-D substructures in proteins. Proteins 11:52-58.

Zuker, M. and Somorjai, R.L. (1989). The alignment of protein structures in three dimensions. Bull. Math. Biol., 51(1), 55-78.

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