Predicting the conformation of proteins man versus machine

Two types of approaches for predicting the conformation of proteins from sequence data have lately received attention: ‘black box’ tools that generate fully automated predictions of secondary structure from a set of homologous protein sequences, and methods involving the expertise of a human biochemist who is assisted, but not replaced, by computer tools. A friendly controversy has emerged as to which approach offers a brighter future. In fact, both are necessary. Nevertheless, a snapshot of the controversy at this instant offers much insight into the structure prediction problem itself.

[1]  J. Zheng,et al.  Crystal structure of the catalytic subunit of cyclic adenosine monophosphate-dependent protein kinase. , 1991, Science.

[2]  D. C. Rees,et al.  Crystallographic structure and functional implications of the nitrogenase molybdenum–iron protein from Azotobacter vinelandii , 1992, Nature.

[3]  Steven A. Benner,et al.  Evolution and Structural Theory: The Frontier Between Chemistry and Biology , 1990 .

[4]  A. Lesk,et al.  The relation between the divergence of sequence and structure in proteins. , 1986, The EMBO journal.

[5]  Andrea Musacchio,et al.  SH3 — an abundant protein domain in search of a function , 1992, FEBS letters.

[6]  T. Hunt,et al.  200 issues of TIBS , 1992 .

[7]  F E Cohen,et al.  Structure-activity studies of interleukin-2. , 1986, Science.

[8]  S A Benner,et al.  The nitrogenase MoFe protein , 1993, FEBS letters.

[9]  T. L. Blundell,et al.  Knowledge-based prediction of protein structures and the design of novel molecules , 1987, Nature.

[10]  G. Barton,et al.  Conservation analysis and structure prediction of the SH2 family of phosphotyrosine binding domains , 1992, FEBS letters.

[11]  Joanne I. Yeh,et al.  Three-dimensional structures of the ligand-binding domain of the bacterial aspartate receptor with and without a ligand. , 1995, Science.

[12]  S. Benner,et al.  Patterns of divergence in homologous proteins as indicators of secondary and tertiary structure: a prediction of the structure of the catalytic domain of protein kinases. , 1991, Advances in enzyme regulation.

[13]  S A Benner,et al.  Predicted secondary structure for the Src homology 3 domain. , 1993, Journal of molecular biology.

[14]  G. Barton,et al.  Amino acid sequence analysis of the annexin super-gene family of proteins. , 1991, European journal of biochemistry.

[15]  H. Dugas Bioorganic Chemistry Frontiers , 1991 .

[16]  J. Bazan Unraveling the structure of IL-2. , 1992, Science.

[17]  S. Iwanaga,et al.  Primary structure of H2-proteinase, a non-hemorrhagic metalloproteinase, isolated from the venom of the habu snake, Trimeresurus flavoviridis. , 1989, Journal of biochemistry.

[18]  F. Daldal,et al.  Current communications in molecular biology: Microbial energy transduction , 1986 .

[19]  Stuart L. Schreiber,et al.  Structure of the Pl3K SH3 domain and analysis of the SH3 family , 1993, Cell.

[20]  J. Garnier,et al.  Analysis of the accuracy and implications of simple methods for predicting the secondary structure of globular proteins. , 1978, Journal of molecular biology.

[21]  S. Benner Patterns of divergence in homologous proteins as indicators of tertiary and quaternary structure. , 1989, Advances in enzyme regulation.

[22]  J. Schlessinger,et al.  Solution structure of the SH3 domain of phospholipase C-γ , 1993, Cell.

[23]  M. Ultsch,et al.  Human growth hormone and extracellular domain of its receptor: crystal structure of the complex. , 1992, Science.

[24]  Mark A. Cohen,et al.  Correct structure prediction? , 1992, Nature.

[25]  S Salzberg,et al.  Predicting protein secondary structure with a nearest-neighbor algorithm. , 1992, Journal of molecular biology.

[26]  Janet M. Thornton,et al.  Prediction of progress at last , 1991, Nature.

[27]  R. Huber,et al.  The calcium binding sites in human annexin V by crystal structure analysis at 2.0 A resolution Implications for membrane binding and calcium channel activity , 1990, FEBS letters.

[28]  R. Huber,et al.  The crystal and molecular structure of human annexin V, an anticoagulant protein that binds to calcium and membranes. , 1990, The EMBO journal.

[29]  Scott R. Presnell,et al.  The ribonuclease from an extinct bovid ruminant , 1990, FEBS letters.

[30]  Andrea Musacchio,et al.  Crystal structure of a Src-homology 3 (SH3) domain , 1992, Nature.

[31]  I. Crawford,et al.  Prediction of secondary structure by evolutionary comparison: Application to the α subunit of tryptophan synthase , 1987, Proteins.

[32]  D. Baltimore,et al.  Crystal structure of the phosphotyrosine recognition domain SH2 of v-src complexed with tyrosine-phosphorylated peptides , 1993, Nature.

[33]  Chris Sander,et al.  Jury returns on structure prediction , 1992, Nature.

[34]  C Sander,et al.  Progress in protein structure prediction? , 1993, Trends in biochemical sciences.

[35]  Barry Robson,et al.  Protein structure prediction , 1993, Nature.

[36]  S. Schreiber,et al.  Solution structure of the SH3 domain of Src and identification of its ligand-binding site. , 1992, Science.

[37]  Robert B. Russell,et al.  Protein structure prediction , 1993, Nature.

[38]  E. Padlan,et al.  Three-dimensional structure of the tryptophan synthase alpha 2 beta 2 multienzyme complex from Salmonella typhimurium. , 1988, The Journal of biological chemistry.