BIOLUMBASE--the database of natural and transgenic bioluminescent organisms.

The Institute of Biophysics SB RAS hosts and maintains a specialized collection of luminous bacteria (CCIBSO 836) containing over 700 strains isolated in various regions of the world's oceans. The culture collection is a source of lux genes and biologically active substances. The wide application of bioluminescence in medicine and ecology has given importance to analysing information on the structure and functioning of bioluminescence systems in natural and transgenic microorganisms, as well as on their features that are closely interrelated with bioluminescence. The aims of our BIOLUMBASE database are: gathering information on microorganisms with lux genes, their analysis and free access, and distribution of this data throughout the global network. The database includes two sections, natural and transgenic luminous microorganisms, and is updated by our own experimental results, the published literature and internet resources. For the future, a publicly available internet site for BIOLUMBASE is planned. This will list the strains and provide comprehensive information on the properties and functions of luminous bacteria, the mechanisms of regulation of bioluminescence systems, constructs with lux genes, and applications of bioluminescence in microbiology, ecology, medicine and biotechnology. It is noteworthy that this database will also be useful for evaluation of biological hazards of transgenic strains. Users will be able to carry out bibliographic and strain searches starting from any feature of interest.     

CO2 balance of boreal, temperate, and tropical forests derived from a global database

Terrestrial ecosystems sequester 2.1 Pg of atmospheric carbon annually. A large amount of the terrestrial sink is realized by forests. However, considerable uncertainties remain regarding the fate of this carbon over both short and long timescales. Relevant data to address these uncertainties are being collected at many sites around the world, but syntheses of these data are still sparse. To facilitate future synthesis activities, we have assembled a comprehensive global database for forest ecosystems, which includes carbon budget variables (fluxes and stocks), ecosystem traits (e.g. leaf area index, age), as well as ancillary site information such as management regime, climate, and soil characteristics. This publicly available database can be used to quantify global, regional or biome‐specific carbon budgets; to re‐examine established relationships; to test emerging hypotheses about ecosystem functioning [e.g. a constant net ecosystem production (NEP) to gross primary production (GPP) ratio]; and as benchmarks for model evaluations. In this paper, we present the first analysis of this database. We discuss the climatic influences on GPP, net primary production (NPP) and NEP and present the CO₂ balances for boreal, temperate, and tropical forest biomes based on micrometeorological, ecophysiological, and biometric flux and inventory estimates. Globally, GPP of forests benefited from higher temperatures and precipitation whereas NPP saturated above either a threshold of 1500 mm precipitation or a mean annual temperature of 10 °C. The global pattern in NEP was insensitive to climate and is hypothesized to be mainly determined by nonclimatic conditions such as successional stage, management, site history, and site disturbance. In all biomes, closing the CO₂ balance required the introduction of substantial biome‐specific closure terms. Nonclosure was taken as an indication that respiratory processes, advection, and non‐CO₂ carbon fluxes are not presently being adequately accounted for.     

Landscape of protein–small ligand binding modes

Elucidating the mechanisms of specific small‐molecule (ligand) recognition by proteins is a long‐standing conundrum. While the structures of these molecules, proteins and ligands, have been extensively studied, protein–ligand interactions, or binding modes, have not been comprehensively analyzed. Although methods for assessing similarities of binding site structures have been extensively developed, the methods for the computational treatment of binding modes have not been well established. Here, we developed a computational method for encoding the information about binding modes as graphs, and assessing their similarities. An all‐against‐all comparison of 20,040 protein–ligand complexes provided the landscape of the protein–ligand binding modes and its relationships with protein‐ and chemical spaces. While similar proteins in the same SCOP Family tend to bind relatively similar ligands with similar binding modes, the correlation between ligand and binding similarities was not very high (R² = 0.443). We found many pairs with novel relationships, in which two evolutionally distant proteins recognize dissimilar ligands by similar binding modes (757,474 pairs out of 200,790,780 pairs were categorized into this relationship, in our dataset). In addition, there were an abundance of pairs of homologous proteins binding to similar ligands with different binding modes (68,217 pairs). Our results showed that many interesting relationships between protein–ligand complexes are still hidden in the structure database, and our new method for assessing binding mode similarities is effective to find them.     

Estimation of annual nitrous oxide emissions from a transitional grassland-forest region in Saskatchewan, Canada

The increasing atmospheric N₂O concentration and the imbalance in its global budget have triggered the interest in quantifying N₂O fluxes from various ecosystems. This study was conducted to estimate the annual N₂O emissions from a transitional grassland-forest region in Saskatchewan, Canada. The study region was stratified according to soil texture and land use types, and we selected seven landscapes (sites) to cover the range of soil texture and land use characteristics in the region. The study sites were, in turn, stratified into distinguishable spatial sampling units (i.e., footslope and shoulder complexes), which reflected the differences in soils and soil moisture regimes within a landscape. N₂O emission was measured using a sealed chamber method. Our results showed that water-filled pore space (WFPS) was the variable most correlated to N₂O fluxes. With this finding, we estimated the total N₂O emissions by using regression equations that relate WFPS to N₂O emission, and linking these regression equations with a soil moisture model for predicting WFPS. The average annual fluxes from fertilized cropland, pasture/hay land, and forest areas were 2.00, 0.04, and 0.02 kg N₂O-N ha^–1 yr^–1, respectively. The average annual fluxes for the medium- to fine-textured and sandy-textured areas were 1.40 and 0.04 kg N₂O-N ha^–1 yr^–1, respectively. The weighted-average annual flux for the study region is 0.95 kg N₂O-N ha^–1yr^–1. The fertilized cropped areas covered only 47% of the regional area but contributed about 98% of the regional flux. We found that in the clay loam, cropped site, 2% and 3% of the applied fertilizer were emitted as N₂O on the shoulders and footslopes, respectively.Contribution no. R824 of Saskatchewan Center for Soil Research, Saskatoon, Saskatchewan, Canada     

蛋白质组研究进展

蛋白质组研究技术是后基因组时代的重要研究手段.综述了流感嗜血杆菌、细菌、酵母、线虫、果蝇蛋白质组的研究进展以及蛋白质组研究技术在人类疾病研究中的应用.     

蛋白质骨架库的构建及其在功能蛋白质设计中的应用

利用活性位点嫁接设计新的功能蛋白质的方法需要功能模体和蛋白质骨架两种构件。出于活性位点嫁接的需要,我们构建了一个蛋白质骨架库,且提供搜索与功能模体相配骨架的工具及其评估方法。并用两个活性位点的嫁接进行了检验。     

Structural classification of αββ and ββα supersecondary structure units in proteins

We present a fully automatic structural classification of supersecondary structure units, consisting of two hydrogen-bonded β strands, preceded or followed by an α helix. The classification is performed on the spatial arrangement of the secondary structure elements, irrespective of the length and conformation of the intervening loops. The similarity of the arrangements is estimated by a structure alignment procedure that uses as similarity measure the root mean square deviation of superimposed backbone atoms. Applied to a set of 141 well-resolved nonhomologous protein structures, the classification yields 11 families of recurrent arrangements. In addition, fragments that are structurally intermediate between the families are found; they reveal the continuity of the classification. The analysis of the families shows that the α helix and β hairpin axes can adopt virtually all relative orientations, with, however, some preferable orientations; moreover, according to the orientation, preferences in the left/right handedness of the α–β connection are observed. These preferences can be explained by favorable side by side packing of the α helix and the β hairpin, local interactions in the region of the α–β connection or stabilizing environments in the parent protein. Furthermore, fold recognition procedures and structure prediction algorithms coupled to database-derived potentials suggest that the preferable nature of these arrangements does not imply their intrinsic stability. They usually accommodate a large number of sequences, of which only a subset is predicted to stabilize the motif. The motifs predicted as stable could correspond to nuclei formed at the very beginning of the folding process. Proteins 30:193–212, 1998. © 1998 Wiley-Liss, Inc.     

Influence of protein structure databases on the predictive power of statistical pair potentials

A long standing goal in protein structure studies is the development of reliable energy functions that can be used both to verify protein models derived from experimental constraints as well as for theoretical protein folding and inverse folding computer experiments. In that respect, knowledge-based statistical pair potentials have attracted considerable interests recently mainly because they include the essential features of protein structures as well as solvent effects at a low computing cost. However, the basis on which statistical potentials are derived have been questioned. In this paper, we investigate statistical pair potentials derived from protein three-dimensional structures, addressing in particular questions related to the form of these potentials, as well as to the content of the database from which they are derived. We have shown that statistical pair potentials depend on the size of the proteins included in the database, and that this dependence can be reduced by considering only pairs of residue close in space (i.e., with a cutoff of 8 Å). We have shown also that statistical potentials carry a memory of the quality of the database in terms of the amount and diversity of secondary structure it contains. We find, for example, that potentials derived from a database containing α-proteins will only perform best on α-proteins in fold recognition computer experiments. We believe that this is an overall weakness of these potentials, which must be kept in mind when constructing a database. Proteins 31:139–149, 1998. © 1998 Wiley-Liss, Inc.     

生物信息学在食用菌研究中的应用

食用菌因其富含多种氨基酸及微量元素等物质,具有较高的营养价值和药用价值,越来越受到人们的关注和喜爱。我国作为最重要的食用菌生产国,食用菌生产规模不断扩大,产量也在逐年提高。为了更好地发展食用菌产业,迫切需要在传统的食用菌产业链,如优良品种选育及栽培生产中融入新技术。生物信息学作为一门研究分析生物生命结构的技术门类,通过运用数学、计算机科学等工具揭示了数据所蕴含的生物学意义,极大地促进了生命科学研究的发展,也为食用菌更深入的研究与应用提供了技术保障。本文从食用菌育种及种质资源调查、病虫害防治、基因组学、食用菌安全等几方面阐述了生物信息学在食用菌领域的具体应用,对生物信息学在食用菌及农业领域的发展进行了展望,以期为促进食用菌研究和生产发展提供参考。