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iCn3D Skill: Alternative Rendering and Saving Files

  • Page ID
    114612
  • \( \newcommand{\vecs}[1]{\overset { \scriptstyle \rightharpoonup} {\mathbf{#1}} } \)

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    \( \newcommand{\id}{\mathrm{id}}\) \( \newcommand{\Span}{\mathrm{span}}\)

    ( \newcommand{\kernel}{\mathrm{null}\,}\) \( \newcommand{\range}{\mathrm{range}\,}\)

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    \(\newcommand{\avec}{\mathbf a}\) \(\newcommand{\bvec}{\mathbf b}\) \(\newcommand{\cvec}{\mathbf c}\) \(\newcommand{\dvec}{\mathbf d}\) \(\newcommand{\dtil}{\widetilde{\mathbf d}}\) \(\newcommand{\evec}{\mathbf e}\) \(\newcommand{\fvec}{\mathbf f}\) \(\newcommand{\nvec}{\mathbf n}\) \(\newcommand{\pvec}{\mathbf p}\) \(\newcommand{\qvec}{\mathbf q}\) \(\newcommand{\svec}{\mathbf s}\) \(\newcommand{\tvec}{\mathbf t}\) \(\newcommand{\uvec}{\mathbf u}\) \(\newcommand{\vvec}{\mathbf v}\) \(\newcommand{\wvec}{\mathbf w}\) \(\newcommand{\xvec}{\mathbf x}\) \(\newcommand{\yvec}{\mathbf y}\) \(\newcommand{\zvec}{\mathbf z}\) \(\newcommand{\rvec}{\mathbf r}\) \(\newcommand{\mvec}{\mathbf m}\) \(\newcommand{\zerovec}{\mathbf 0}\) \(\newcommand{\onevec}{\mathbf 1}\) \(\newcommand{\real}{\mathbb R}\) \(\newcommand{\twovec}[2]{\left[\begin{array}{r}#1 \\ #2 \end{array}\right]}\) \(\newcommand{\ctwovec}[2]{\left[\begin{array}{c}#1 \\ #2 \end{array}\right]}\) \(\newcommand{\threevec}[3]{\left[\begin{array}{r}#1 \\ #2 \\ #3 \end{array}\right]}\) \(\newcommand{\cthreevec}[3]{\left[\begin{array}{c}#1 \\ #2 \\ #3 \end{array}\right]}\) \(\newcommand{\fourvec}[4]{\left[\begin{array}{r}#1 \\ #2 \\ #3 \\ #4 \end{array}\right]}\) \(\newcommand{\cfourvec}[4]{\left[\begin{array}{c}#1 \\ #2 \\ #3 \\ #4 \end{array}\right]}\) \(\newcommand{\fivevec}[5]{\left[\begin{array}{r}#1 \\ #2 \\ #3 \\ #4 \\ #5 \\ \end{array}\right]}\) \(\newcommand{\cfivevec}[5]{\left[\begin{array}{c}#1 \\ #2 \\ #3 \\ #4 \\ #5 \\ \end{array}\right]}\) \(\newcommand{\mattwo}[4]{\left[\begin{array}{rr}#1 \amp #2 \\ #3 \amp #4 \\ \end{array}\right]}\) \(\newcommand{\laspan}[1]{\text{Span}\{#1\}}\) \(\newcommand{\bcal}{\cal B}\) \(\newcommand{\ccal}{\cal C}\) \(\newcommand{\scal}{\cal S}\) \(\newcommand{\wcal}{\cal W}\) \(\newcommand{\ecal}{\cal E}\) \(\newcommand{\coords}[2]{\left\{#1\right\}_{#2}}\) \(\newcommand{\gray}[1]{\color{gray}{#1}}\) \(\newcommand{\lgray}[1]{\color{lightgray}{#1}}\) \(\newcommand{\rank}{\operatorname{rank}}\) \(\newcommand{\row}{\text{Row}}\) \(\newcommand{\col}{\text{Col}}\) \(\renewcommand{\row}{\text{Row}}\) \(\newcommand{\nul}{\text{Nul}}\) \(\newcommand{\var}{\text{Var}}\) \(\newcommand{\corr}{\text{corr}}\) \(\newcommand{\len}[1]{\left|#1\right|}\) \(\newcommand{\bbar}{\overline{\bvec}}\) \(\newcommand{\bhat}{\widehat{\bvec}}\) \(\newcommand{\bperp}{\bvec^\perp}\) \(\newcommand{\xhat}{\widehat{\xvec}}\) \(\newcommand{\vhat}{\widehat{\vvec}}\) \(\newcommand{\uhat}{\widehat{\uvec}}\) \(\newcommand{\what}{\widehat{\wvec}}\) \(\newcommand{\Sighat}{\widehat{\Sigma}}\) \(\newcommand{\lt}{<}\) \(\newcommand{\gt}{>}\) \(\newcommand{\amp}{&}\) \(\definecolor{fillinmathshade}{gray}{0.9}\)

    Structure

    • PDB ID: 1xww
    • Protein:  Low molecular weight protein tyrosine phosphatase
    • Activity:  hydrolyzes Tyr-OPO32-  phosphoester bond
    • Description: single chain, bound SO42- (competitive inhibitor), bound glycerol (nonspecific stabilizer)

     

    Alternative Rendering 

    Load Structure and Mouse/Trackpad Controls

    • Open iCn3D - https://www.ncbi.nlm.nih.gov/Structure/icn3d/full.html
    • For a simple menu, use the dropdown: File > Customize Menus > Simple Menus.
    • In the Please input MMDB or PDB, enter 1xww. Press enter or click load biological unit.
    • Default render is ribbon (cartoon) with black background and small molecules shown as sticks. Hover over objects with the mouse to reveal their identity.
    1. From the top menu bar, choose Style, Protein, then try some of the available choices:

    clipboard_e1ef5301003104ae92aeb74d8efa7982e.png

     

    1. For your favorite protein styles, select Color by left-clicking on the top menu, then pick available choices. Try:
    • Secondary, Sheets in Yellow
    • Charge
    • Hydrophobicity

     clipboard_ea82b494954566feb7e4f7647c5b2be8d.png

     

    1. Under Style, choose ProteinRibbon. Under Color, choose Secondary, Sheets in Yellow before the next step.
    2. To view sidechains, Style, Side Chains, Stick (they will remain the same color as secondary structure for now)
    3. Color for SO42- and bound glycerol will default to CPK coloring (key below)
    4. Convert back to cartoon (Style, Side Chains, Hide)

     

    Saving Files

    1. Style, Background, Transparent
    2. Saving Files: There are several ways to save your work. The first option below saves a PNG image, the second creates a share link
      1. File, Save Files, iCn3D PNG image, original size;  Give it a name. Can be reloaded in iCn3D with File, Load, iCn3D PNG IMAGE
      2. File, Share Link,  Save Lifelong Short URL. Copy and paste this link to share your work.

    clipboard_ecaca01e8cfbc34b1ca1bd77acd513b3c.png

    Pre-Rendered Model Link

    To check your work (or if you got stuck during any of the steps above) catch up using this link: https://structure.ncbi.nlm.nih.gov/icn3d/share.html?CgfEnF27TN7aYQpr6

    clipboard_e2590db35471b87a57cfc93d5844e0e07.png

     


    iCn3D Skill: Alternative Rendering and Saving Files is shared under a not declared license and was authored, remixed, and/or curated by LibreTexts.

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