1. Cellular Overview and Omics Viewer

2. SRI International Bioinformatics The Cellular Overview Diagram A way to quickly visualize an organism’s metabolism Generated automatically by Pathway Tools Can be a static display or a dataset viewing tool

3. SRI International Bioinformatics Organization of the Overview Lines are reactions, nodes are biochemical species (compounds, proteins) There’s a legend explaining symbols used Includes metabolic and transport reactions Pathways grouped functionally l Anabolism on the left, catabolism on the right, energy in the middle l Gray backgrounds indicate more specific functional groups l Non-pathway reactions on far right Generally, pathways flow downward

4. SRI International Bioinformatics Physical Location in the Overview Non-cytoplasmic proteins with known locations shown l In E. coli, that means periplasmic, cell and outer membrane l This includes proteins with no associated reaction Cytoplasmic proteins with enzymatic activities shown l Non-enzymatic cytoplasmic proteins left off to avoid clutter Compare the gram-positive B. anthracis l Note pathway holes visualized as gray lines Overview>Show/Hide Transport Links

5. SRI International Bioinformatics Mousing Over in the Overview Mousing over a gray backing tells you the pathway class Mousing over a node gives compound name and pathway Mousing over a line gives similar information Can click through from anything to the PGDB Can right-click to: l Zoom l Pop up pathways l Indicate pathway connections (clear in overview menu) l More

6. SRI International Bioinformatics Highlighting in the Overview Overview>Highlight>many options l Pathway by class (biosynthesis > all > select all) l Reactions > All without EC numbers (note second color) u Note all reaction options (many!) l Reactions > By modulation Can clear highlighting at any time Can save highlighting to file for later use Can do Genes and Compounds as well Can pull information from a file, or from answer list

7. SRI International Bioinformatics Highlighting to Compare Organisms Look at shared or nonshared reactions Example – E. coli reactions shared with humans Example – switch to B. anthracis l Reactions not shared with (human and coli) l Set from Any to All l One way to think about drug targeting, e.g. Quick note – cross-species comparison from pathways l Go to this from individual pathway pages l Compares presence of pathway in question, and reactions of that pathway

8. SRI International Bioinformatics The Omics Viewer An intuitive, visual display of large data sets Visualize any data that attaches numbers to genes, proteins or compounds l Proteomics, metabolomics, genomics Accepts tab-delimited and SAM datasets

9. SRI International Bioinformatics Using the Omics Viewer Overview>Omics Viewer>Text File / SAM Output Single-time-point experiment l Choose display l Relative/absolute data l What kind of data? l Which column is the data in? (Object IDs must be in zero) Color schemes l Default (not standard between different datasets) l Others (see next slide)

10. SRI International Bioinformatics Omics Viewer Output Data report l Total data rows l Data rows not shown l Data rows with invalid data l Color key Display options l Set maximum cutoff for default color scheme (e.g. 0.3) l Set manual color cutoffs (e.g. 0.3, 0.6, 0.9) l Both options let you compare different experiments

11. SRI International Bioinformatics Viewing Multiple Data Sets View as an Animation Typically a time course, but does not have to be Need to tell Pathway Tools which columns to use Same output color / cutoff selections as single experiment If you use automatic color scale, it’s set to the maximum shift in the experiment l Thus, all time points / data sets comparable l A good way to standardize across experiments Can move between experiments/time points manually Can save as HTML