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

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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.

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