Difference between revisions of "Jmol-Application/C4/3D-Models-of-Enzymes/English-timed"
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||00:01 | ||00:01 | ||
− | ||Hello everyone. Welcome to this tutorial on '''3D Models of Enzymes | + | ||Hello everyone. Welcome to this tutorial on '''3D Models of Enzymes in Jmol '''. |
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||00:08 | ||00:08 | ||
− | || In this tutorial, we will learn to | + | || In this tutorial, we will learn to: * '''Load''' '''structure''' of '''Human Pancreatic Hexokinase''' on '''Jmol panel'''. |
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||00:16 | ||00:16 | ||
− | ||Modify the display of secondary structure . | + | ||* Modify the display of secondary structure . |
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||00:20 | ||00:20 | ||
− | ||Highlight amino acid residues at the active site. | + | ||* Highlight amino acid residues at the active site. |
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||00:25 | ||00:25 | ||
− | || | + | ||* Highlight substrate and cofactors of the enzyme. |
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||00:30 | ||00:30 | ||
− | || And view '''Ramachandran plot''' for protein | + | ||* And view '''Ramachandran plot''' for protein. |
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||00:35 | ||00:35 | ||
− | || To follow this tutorial you should have Knowledge of basic biochemistry | + | || To follow this tutorial, you should have Knowledge of basic biochemistry |
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||00:41 | ||00:41 | ||
− | || | + | ||and familiar with basic operations from '''Jmol Application window'''. |
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||00:46 | ||00:46 | ||
− | ||Please view the tutorial '''Proteins and Macromolecules''' in the Jmol Application series. | + | ||Please view the tutorial '''Proteins and Macromolecules''' in the '''Jmol Application''' series. |
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||00:57 | ||00:57 | ||
− | ||To record this tutorial I am using | + | ||To record this tutorial, I am using: * '''Ubuntu''' Operating System version 12.04 |
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||01:05 | ||01:05 | ||
− | ||'''Jmol''' version 12.2.2. | + | ||* '''Jmol''' version 12.2.2. |
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||01:08 | ||01:08 | ||
− | || '''Java''' version 7. and '''Mozilla Firefox browser''' 22.0 | + | ||* '''Java''' version 7. and * '''Mozilla Firefox browser''' 22.0 |
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||01:16 | ||01:16 | ||
− | ||Open the Jmol window and load the structure of '''hexokinase''' enzyme. | + | ||Open the '''Jmol''' '''window''' and '''load''' the structure of '''hexokinase''' enzyme. |
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||01:37 | ||01:37 | ||
− | ||An Input dialogue box appears on the screen. Type the four letter '''PDB code''' for '''hexokinase''', that is '''3IDH''' in the text box. | + | ||An '''Input''' dialogue box appears on the screen. Type the four letter '''PDB code''' for '''hexokinase''', that is '''3IDH''' in the text box. |
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||01:55 | ||01:55 | ||
− | || If you do not have a working Internet connection: Open the existing '''pdb''' file using ''' | + | || If you do not have a working Internet connection: Open the existing '''pdb''' file using '''Open a file''' icon on the tool bar. |
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||02:16 | ||02:16 | ||
− | || Open the console window using the '''File''' menu. | + | || Open the '''console''' window using the '''File''' menu. |
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||02:21 | ||02:21 | ||
− | ||As shown on the Console, | + | ||As shown on the Console, the structure on the panel is for '''Human Pancreatic Glucokinase''' along with substrate '''Glucose'''. |
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||02:34 | ||02:34 | ||
− | ||On the panel we have the ball and stick model of '''hexokinase'''. | + | ||On the panel, we have the '''ball and stick''' model of '''hexokinase'''. |
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||02:40 | ||02:40 | ||
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||02:53 | ||02:53 | ||
− | ||About '''hexokinase''' Enzyme | + | ||About '''hexokinase''' Enzyme- |
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||03:30 | ||03:30 | ||
− | ||'''Alpha-D-Glucose''' is the substrate for this enzyme. | + | ||'''Alpha-D-Glucose''' is the '''substrate''' for this enzyme. |
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||03:34 | ||03:34 | ||
− | ||Now let us go back to the Jmol panel. | + | ||Now, let us go back to the Jmol panel. |
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||03:38 | ||03:38 | ||
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|| 03:49 | || 03:49 | ||
− | ||To select a particular component Open the pop-up menu using the right click. | + | ||To select a particular component- Open the pop-up menu using the right-click. |
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||04:46 | ||04:46 | ||
− | ||Open the pop-up menu, go to '''Select''' | + | ||Open the pop-up menu, go to '''Select''' and scroll down to '''Protein''' option. Click on '''All'''. |
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||04:55 | ||04:55 | ||
− | ||Open the pop-up menu again, scroll down to '''Style''', then to '''Scheme'''. | + | ||Open the pop-up menu again, scroll down to '''Style''', then to '''Scheme'''. And click on '''Sticks''' option. |
− | And click on '''Sticks''' option. | + | |
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||05:05 | ||05:05 | ||
− | ||Now we have on the panel the protein in '''sticks''' display | + | ||Now we have, on the panel, the protein in '''sticks''' display. |
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||05:11 | ||05:11 | ||
− | |Now to change the color | + | |Now to change the color- open the pop-up menu again, go to '''Color''', '''Atoms''' and click on '''Blue''' option. |
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||05:23 | ||05:23 | ||
− | ||We have on the screen the model of '''hexokinase''' in blue color and in sticks display | + | ||We have, on the screen, the model of '''hexokinase''' in blue color and in sticks display. |
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||05:30 | ||05:30 | ||
− | ||Observe the substrate | + | ||Observe the substrate '''Alfa-D-Glucose''' in '''ball and stick''' display in the cleft. |
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||05:38 | ||05:38 | ||
− | ||To highlight the substrate | + | ||To highlight the substrate- open the pop-up menu, go to '''Select''', then '''Hetero''' and click on '''GLC-ALFA-D-GLUCOSE'''. |
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||05:52 | ||05:52 | ||
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||06:00 | ||06:00 | ||
− | ||To change the color | + | ||To change the color- Open the pop-up menu again, go down to '''Color''', '''Atoms''' and click on '''White''' option. |
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||06:12 | ||06:12 | ||
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||06:32 | ||06:32 | ||
− | ||As mentioned earlier the amino acids involved at the active-site are '''Aspergine''' at position 204, | + | ||As mentioned earlier, the amino acids involved at the active-site are '''Aspergine''' at position 204, |
'''Aspergine''' at position 231 and '''Glutamic acid''' at 256. | '''Aspergine''' at position 231 and '''Glutamic acid''' at 256. | ||
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||07:03 | ||07:03 | ||
− | ||At the $ prompt type: '''select within square brackets Asn for aspergine close the bracket, 204 i.e the position semicolon color atoms orange'''. | + | ||At the $ (dollar) prompt, type: '''"select"''' within square brackets '''"Asn"''' for aspergine close the bracket, '''"204"''' i.e the position '''semicolon''' '''"color atoms orange"'''. |
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||07:25 | ||07:25 | ||
− | ||Press | + | ||Press '''Enter'''. |
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||07:33 | ||07:33 | ||
− | ||Press up arrow button on the key board and edit the command. | + | ||Press up-arrow button on the key board and '''edit''' the command. |
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||07:48 | ||07:48 | ||
− | ||Press Enter | + | ||Press '''Enter'''. |
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||07:51 | ||07:51 | ||
− | ||Press up arrow key | + | ||Press up-arrow key again and edit the name of the amino acid to GLU, that is '''glutamic acid''' and position to 256. |
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||08:06 | ||08:06 | ||
− | ||Color of atoms to green and | + | ||Color of atoms to green and press '''Enter'''. |
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||08:13 | ||08:13 | ||
− | || We have on the panel a 3D model of '''hexokinase''' with substrate and the active site highlighted. | + | || We have, on the panel, a 3D model of '''hexokinase''' with substrate and the active site highlighted. |
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||08:23 | ||08:23 | ||
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||08:36 | ||08:36 | ||
− | ||On the console, at the $ prompt type '''plot ramachandran''' | + | ||On the console, at the dollar($) prompt, type: '''plot ramachandran''' |
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||08:45 | ||08:45 | ||
− | || | + | ||press '''Enter'''. |
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||08:47 | ||08:47 | ||
− | ||On the screen we have a '''ramachandran plot''' for '''hexokinase'''. | + | ||On the screen, we have a '''ramachandran plot''' for '''hexokinase'''. |
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||08:54 | ||08:54 | ||
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||09:00 | ||09:00 | ||
− | ||Change the display of secondary structure | + | ||Change the display of secondary structure. |
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||09:04 | ||09:04 | ||
− | || | + | ||Let's summarize. In this tutorial we learnt to: * Load structure of Human Pancreatic Hexokinase using PDB code. |
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||09:14 | ||09:14 | ||
− | || Modify the display of secondary structure. | + | ||* Modify the display of secondary structure. |
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||09:17 | ||09:17 | ||
− | || Highlight amino acid residues at the active site. | + | ||* Highlight amino acid residues at the active site. |
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||09:21 | ||09:21 | ||
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||10:04 | ||10:04 | ||
− | || The Spoken Tutorial Project | + | || The Spoken Tutorial Project team |
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||10:07 | ||10:07 | ||
− | || | + | || conducts workshops and distributes certificates. |
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||10:14 | ||10:14 | ||
− | || Spoken Tutorial | + | || '''Spoken Tutorial''' project is a part of the '''Talk to a Teacher''' project. |
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||10:25 | ||10:25 | ||
− | ||More information on this | + | ||More information on this mission is available at this link. |
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||10:30 | ||10:30 | ||
− | ||This is | + | ||This is Snehalatha from '''IIT Bombay''', signing off. Thank you for joining. |
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|} | |} |
Revision as of 17:19, 14 September 2015
Time | Narration |
00:01 | Hello everyone. Welcome to this tutorial on 3D Models of Enzymes in Jmol . |
00:08 | In this tutorial, we will learn to: * Load structure of Human Pancreatic Hexokinase on Jmol panel. |
00:16 | * Modify the display of secondary structure . |
00:20 | * Highlight amino acid residues at the active site. |
00:25 | * Highlight substrate and cofactors of the enzyme. |
00:30 | * And view Ramachandran plot for protein. |
00:35 | To follow this tutorial, you should have Knowledge of basic biochemistry |
00:41 | and familiar with basic operations from Jmol Application window. |
00:46 | Please view the tutorial Proteins and Macromolecules in the Jmol Application series. |
00:53 | It is available at the following link. |
00:57 | To record this tutorial, I am using: * Ubuntu Operating System version 12.04 |
01:05 | * Jmol version 12.2.2. |
01:08 | * Java version 7. and * Mozilla Firefox browser 22.0 |
01:16 | Open the Jmol window and load the structure of hexokinase enzyme. |
01:22 | I am connected to internet, so I will load the structure directly from the PDB website. |
01:28 | To do so, Open the File menu, scroll down and click on Get PDB option. |
01:37 | An Input dialogue box appears on the screen. Type the four letter PDB code for hexokinase, that is 3IDH in the text box. |
01:50 | This code was obtained from the Protein Data Bank website. |
01:55 | If you do not have a working Internet connection: Open the existing pdb file using Open a file icon on the tool bar. |
02:06 | Click on OK button. |
02:09 | 3D Structure of hexokinase also known as glucokinase opens on the screen. |
02:16 | Open the console window using the File menu. |
02:21 | As shown on the Console, the structure on the panel is for Human Pancreatic Glucokinase along with substrate Glucose. |
02:31 | Close the Console. |
02:34 | On the panel, we have the ball and stick model of hexokinase. |
02:40 | Remove the water molecules from the protein model on the panel. |
02:44 | This process is explained in detail in the Jmol tutorial Proteins and macromolecules. |
02:53 | About hexokinase Enzyme- |
02:56 | Hexokinase is a monomeric protein of 465 amino acids. |
03:02 | It has two domains, a large domain and a small domain. |
03:07 | The active-site for this enzyme is located in the cleft between the two domains. |
03:14 | Active-site for hexokinase has 3 amino acid residues: Aspergine at 204, Aspergine at position 231 and Glutamic acid at 256. |
03:30 | Alpha-D-Glucose is the substrate for this enzyme. |
03:34 | Now, let us go back to the Jmol panel. |
03:38 | We can select and highlight the components of enzymes like : Substrate, Cofactors or Amino acid residues at the active site. |
03:49 | To select a particular component- Open the pop-up menu using the right-click. |
03:55 | Scroll down to Select option. |
03:57 | From the sub-menu, Proteins, select By Residue name. |
04:04 | We have individual amino acid residues listed here. |
04:10 | Click on the name of the amino acid to select it. |
04:14 | Also amino acids are grouped under headings like: Polar, Non-polar, Basic, Acidic, Uncharged etc. |
04:26 | Listed in the Hetero menu, are the metal ion potassium and substrate glucose. |
04:34 | We can modify the display of enzyme to easily locate the substrate binding site.` |
04:41 | Let us change the display and color of the atoms of the protein. |
04:46 | Open the pop-up menu, go to Select and scroll down to Protein option. Click on All. |
04:55 | Open the pop-up menu again, scroll down to Style, then to Scheme. And click on Sticks option. |
05:05 | Now we have, on the panel, the protein in sticks display. |
05:11 | Now to change the color- open the pop-up menu again, go to Color, Atoms and click on Blue option. |
05:23 | We have, on the screen, the model of hexokinase in blue color and in sticks display. |
05:30 | Observe the substrate Alfa-D-Glucose in ball and stick display in the cleft. |
05:38 | To highlight the substrate- open the pop-up menu, go to Select, then Hetero and click on GLC-ALFA-D-GLUCOSE. |
05:52 | Open the pop-up menu again , scroll down to Style, Scheme and click on Sticks option. |
06:00 | To change the color- Open the pop-up menu again, go down to Color, Atoms and click on White option. |
06:12 | On panel is the model of hexokinase with position of the substrate clearly highlighted. |
06:20 | We can change the color of the amino acids at the active site to highlight them. |
06:26 | To do so, we have to type commands in the Console window. |
06:32 | As mentioned earlier, the amino acids involved at the active-site are Aspergine at position 204,
Aspergine at position 231 and Glutamic acid at 256. |
06:50 | Open the console window using File menu. Click on Console. |
06:57 | I am using Kmag Screen magnifier to magnify the console window. |
07:03 | At the $ (dollar) prompt, type: "select" within square brackets "Asn" for aspergine close the bracket, "204" i.e the position semicolon "color atoms orange". |
07:25 | Press Enter. |
07:27 | Observe that the atoms of aspargine residue now in orange color. |
07:33 | Press up-arrow button on the key board and edit the command. |
07:39 | Edit the amino acid position to 231 and color of atoms to red. |
07:48 | Press Enter. |
07:51 | Press up-arrow key again and edit the name of the amino acid to GLU, that is glutamic acid and position to 256. |
08:06 | Color of atoms to green and press Enter. |
08:13 | We have, on the panel, a 3D model of hexokinase with substrate and the active site highlighted. |
08:23 | Also highlighted in the model is the potassium atom shown here in purple color. |
08:30 | We can also show ramachandran plots for a particular protein in jmol. |
08:36 | On the console, at the dollar($) prompt, type: plot ramachandran |
08:45 | press Enter. |
08:47 | On the screen, we have a ramachandran plot for hexokinase. |
08:54 | Try to load different enzymes using pdb files from the database. |
09:00 | Change the display of secondary structure. |
09:04 | Let's summarize. In this tutorial we learnt to: * Load structure of Human Pancreatic Hexokinase using PDB code. |
09:14 | * Modify the display of secondary structure. |
09:17 | * Highlight amino acid residues at the active site. |
09:21 | * Highlight substrate and cofactors of the enzyme. |
09:25 | And View ramachandran plot for proteins. |
09:30 | As an Assignment: Load the dot pdb file of enzyme Lysozyme on Jmol panel. |
09:38 | Highlight the substrate bound to the enzyme. |
09:42 | Highlight the amino acids at the active site. |
09:46 | Hint: Get the pdb file of Lysozyme from PDB database. |
09:52 | Watch the video available at this URL. |
09:56 | It summarizes the Spoken Tutorial project. |
10:00 | If you do not have a good bandwidth, you can download and watch it. |
10:04 | The Spoken Tutorial Project team |
10:07 | conducts workshops and distributes certificates. |
10:10 | For more details, please write to us. |
10:14 | Spoken Tutorial project is a part of the Talk to a Teacher project. |
10:19 | It is supported by the National Mission on Education through ICT, MHRD, Government of India. |
10:25 | More information on this mission is available at this link. |
10:30 | This is Snehalatha from IIT Bombay, signing off. Thank you for joining. |