Skip to main content
Biology LibreTexts

iCn3D Intro Tutorial A: Modeling a Short Peptide in a Protein

  • Page ID
    114282
  • \( \newcommand{\vecs}[1]{\overset { \scriptstyle \rightharpoonup} {\mathbf{#1}} } \)

    \( \newcommand{\vecd}[1]{\overset{-\!-\!\rightharpoonup}{\vphantom{a}\smash {#1}}} \)

    \( \newcommand{\dsum}{\displaystyle\sum\limits} \)

    \( \newcommand{\dint}{\displaystyle\int\limits} \)

    \( \newcommand{\dlim}{\displaystyle\lim\limits} \)

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

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

    \( \newcommand{\RealPart}{\mathrm{Re}}\) \( \newcommand{\ImaginaryPart}{\mathrm{Im}}\)

    \( \newcommand{\Argument}{\mathrm{Arg}}\) \( \newcommand{\norm}[1]{\| #1 \|}\)

    \( \newcommand{\inner}[2]{\langle #1, #2 \rangle}\)

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

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

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

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

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

    \( \newcommand{\RealPart}{\mathrm{Re}}\)

    \( \newcommand{\ImaginaryPart}{\mathrm{Im}}\)

    \( \newcommand{\Argument}{\mathrm{Arg}}\)

    \( \newcommand{\norm}[1]{\| #1 \|}\)

    \( \newcommand{\inner}[2]{\langle #1, #2 \rangle}\)

    \( \newcommand{\Span}{\mathrm{span}}\) \( \newcommand{\AA}{\unicode[.8,0]{x212B}}\)

    \( \newcommand{\vectorA}[1]{\vec{#1}}      % arrow\)

    \( \newcommand{\vectorAt}[1]{\vec{\text{#1}}}      % arrow\)

    \( \newcommand{\vectorB}[1]{\overset { \scriptstyle \rightharpoonup} {\mathbf{#1}} } \)

    \( \newcommand{\vectorC}[1]{\textbf{#1}} \)

    \( \newcommand{\vectorD}[1]{\overrightarrow{#1}} \)

    \( \newcommand{\vectorDt}[1]{\overrightarrow{\text{#1}}} \)

    \( \newcommand{\vectE}[1]{\overset{-\!-\!\rightharpoonup}{\vphantom{a}\smash{\mathbf {#1}}}} \)

    \( \newcommand{\vecs}[1]{\overset { \scriptstyle \rightharpoonup} {\mathbf{#1}} } \)

    \(\newcommand{\longvect}{\overrightarrow}\)

    \( \newcommand{\vecd}[1]{\overset{-\!-\!\rightharpoonup}{\vphantom{a}\smash {#1}}} \)

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

    A. Modeling short sections of a protein chain

    Pick one of the small protein fragments below for modeling using iCn3D

    PDB

    Description of protein (all small fragments)

     

    2YW8

    Crystal structure of human RUN and FYVE domain-containing protein

    6EEY

    human Scribble PDZ4 R1110G Mutant

    2PA1

    PDZ domain of human PDLIM2 bound to a C-terminal extension from human beta-tropomyosin

    3A03

    Hox11L1 homeodomain

    3IWL

    cisplatin bound to a human copper chaperone (monomer)

     

    5Z2S

    DUX4-HD2 domain

    6L1C

    PHF20L1 Tudor1 Y24L mutant

    3D2N

    MBNL1 tandem zinc finger 1 and 2 domain

    3RD2

    NIP45 SUMO-like Domain 2

    7NZC

    SH3 domain of POSH (Plenty of SH3 Domains protein)

    1I2T

    HUMAN HYPERPLASTIC DISCS PROTEIN: AN ORTHOLOG OF THE C-TERMINAL DOMAIN OF POLY(A)-BINDING PROTEIN

    1NTE

    CRYSTAL STRUCTURE ANALYSIS OF THE SECOND PDZ DOMAIN OF SYNTENI

    2Y9U

    Structural basis of p63a SAM domain mutants involved in AEC syndrome

    2FMA

    Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'small unit cell' form, atomic resolution

    4OU0

    Crystal Structure of RPA32C

    1ZT3

    C-terminal domain of Insulin-like Growth Factor Binding Protein-1 isolated from human amniotic fluid

    2E3H

    Crystal structure of the CLIP-170 CAP-Gly domain 2

    1L9L

    GRANULYSIN FROM HUMAN CYTOLYTIC T LYMPHOCYTES

    5EFM

    Beclin 1 Flexible-helical Domian (FHD) (141-171)

    2BZX

    Atomic model of CrkL-SH3C monomer

    1NHL

    SNAP-23N Structure

    7UW7

    Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP

    4N7F

    3rd WW domain of human Nedd4-1

    2Q9V

    C890S mutant of the 4th PDZ domain of human membrane-associated guanylate kinase

    6T9Q

    second, C-terminal repeat of the DNA-binding domain of human TImeless

    1WVN

    domain 3 of human alpha polyC binding protein

    3I8Z

    human chromobox homolog 4 (CBX4)

    2F60

    Dihydrolipoamide Dehydrogenase (E3)-Binding Domain of Human E3-Binding Protein

    7FGN

    FAF1 UBL1

    5UM3

    V122L mutant of human UBR-box domain from UBR2

    2FJZ

    Alzheimer's Amyloid Precursor Protein (APP) copper-binding domain (residues 133 to 189) in 'small unit cell' form, metal-free

     

    1.      Open https://www.ncbi.nlm.nih.gov/Structure/icn3d/full.html

    2.      Input in your assigned pdb code and select Load Biological Unit

    clipboard_eba804855671480f35f9d8d85f3de6125.png


    3.      Choose Analysis, Seq and Annotation

    clipboard_e34f6dba9d16f96674b94fe61cb099090.png

     

    4.       Choose Details tab and uncheck conserved domains

    clipboard_ea8533883b59662ec7f8e353df22791b4.png

    5.    With your mouse, select, hold, and sweep between the first 5-10 amino acids (given in single letter code) as illustrated below. When you select them, they will turn yellow.

    clipboard_ec01e63ae70588dfb5d93dc7fbca60f1b.png

     

    6.      Choose View, View Selection (to limit view to what you want

    clipboard_efbeb01617c29e1701938ba04d76aa40d.png

    7.       Choose Style, Proteins, Sticks to see all the bonds

    clipboard_eeb6755485ef3af413fd4e715567dbe1b.png

     

    8.       Change the background from black by choosing from top menu bar Style, Background, Transparent

    clipboard_e5539743b8c58417cc4b2c0480e3c8ced.png

     

    9.      Choose, Analysis, Label, Per residue/#; then Analysis, Label Scale, 2

     

    10.  Next, color your model as shown below in different ways as described in the table below.  Then take a screen capture of the selection and replace the image in the table cell with your own

    clipboard_ec9ceeb7b97b459de229feea98b9f20ce.png

    Color

    Paste snip of renderings as shown below.

    Spectrum, Selection
    to better see each amino acids in selection

    clipboard_e2761a3d29a9d2ab80071ca30c1dd840e.png

    Charge
    Gray if no charges

    (ignore yellow highlight)

    clipboard_e3e54f21245b9bfb0329d1cb67b0d54f9.png

    Hydrophobicity (if nonpolar like oil)

    clipboard_ebed1e407b913f2fef97adea829d1ffa8.png

    Atom (red oxygen, blue nitrogen, yellow Sulfur

    clipboard_ef821a687bf099a0ea6216694cbfdfa89.png


    iCn3D Intro Tutorial A: Modeling a Short Peptide in a Protein is shared under a not declared license and was authored, remixed, and/or curated by LibreTexts.

    • Was this article helpful?