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pti.html
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184 lines (169 loc) · 6.15 KB
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<script type="text/javascript" src="jsmol/JSmol.min.js"></script>
<script type="text/javascript">
var Info = {
color: "#FFFFFF", // white background
height: 400,
width: "100%", // fill the JSMol box to its container's width
coverImage: "images/white.png",
deferApplet: true, // don't load until user clicks on JSMol box
deferUncover: true, // don't uncover until script fully executed
script: "script scripts/pti1.txt",
use: "HTML5",
j2sPath: "jsmol/j2s",
serverURL: "http://chemapps.stolaf.edu/jmol/jsmol/php/jsmol.php",
disableInitialConsole: true,
debug: false,
};
// don't load any JSMol until the page itself has finished loading
$(document).ready(function(){
// prevent JSMol from taking entire page
Jmol.setDocument(0);
// create new JSMol instance with parameters defined in Info above
Jmol.getApplet("myJmol1", Info);
// reuse Info parameters for subsequent JSMol instances, changing
// only the script path
Info.script = "script scripts/pti2.txt";
Jmol.getApplet("myJmol2", Info);
Info.script = "script scripts/pti3.txt";
Jmol.getApplet("myJmol3", Info);
Info.script = "script scripts/pti4.txt";
Jmol.getApplet("myJmol4", Info);
// put JSMol code into the correct containers (id=jsmolWindowN)
$("#jsmolWindow1").html(Jmol.getAppletHtml(myJmol1));
$("#jsmolWindow2").html(Jmol.getAppletHtml(myJmol2));
$("#jsmolWindow3").html(Jmol.getAppletHtml(myJmol3));
$("#jsmolWindow4").html(Jmol.getAppletHtml(myJmol4));
// give our JSMol containers breathing room above and below
$("#myJmol1_appletinfotablediv").css({
"margin-top": "10px",
"margin-right": "auto",
"margin-bottom": "10px",
"margin-left": "auto"
});
$("#myJmol2_appletinfotablediv").css({
"margin-top": "10px",
"margin-right": "auto",
"margin-bottom": "10px",
"margin-left": "auto"
});
$("#myJmol3_appletinfotablediv").css({
"margin-top": "10px",
"margin-right": "auto",
"margin-bottom": "10px",
"margin-left": "auto"
});
$("#myJmol4_appletinfotablediv").css({
"margin-top": "10px",
"margin-right": "auto",
"margin-bottom": "10px",
"margin-left": "auto"
});
$("#resetBtn1").click(reset1);
$("#resetBtn2").click(reset2);
$("#resetBtn3").click(reset3);
$("#resetBtn4").click(reset4);
$("#spinBox1").click(spin1);
$("#spinBox2").click(spin2);
$("#spinBox3").click(spin3);
$("#spinBox4").click(spin4);
});
function reset1(event){
Jmol.script(myJmol1, "script scripts/pti1.txt")
};
function reset2(event){
Jmol.script(myJmol2, "script scripts/pti2.txt")
};
function reset3(event){
Jmol.script(myJmol3, "script scripts/pti3.txt")
};
function reset4(event){
Jmol.script(myJmol4, "script scripts/pti4.txt")
};
function spin1(event){
if (event.target.checked){
Jmol.script(myJmol1, "set spin x 10; set spin y 10; spin on")
} else {
Jmol.script(myJmol1, "spin off")
};
};
function spin2(event){
if (event.target.checked){
Jmol.script(myJmol2, "set spin x 10; set spin y 10; spin on")
} else {
Jmol.script(myJmol2, "spin off")
};
};
function spin3(event){
if (event.target.checked){
Jmol.script(myJmol3, "set spin x 10; set spin y 10; spin on")
} else {
Jmol.script(myJmol3, "spin off")
};
};
function spin4(event){
if (event.target.checked){
Jmol.script(myJmol4, "set spin x 10; set spin y 10; spin on")
} else {
Jmol.script(myJmol4, "spin off")
};
};
// turn off the JSMol alert that binary file loading is limited
Jmol._alertNoBinary = false;
</script>
<!-- Page Title: Trypsin Inhibitor -->
<h2>Introduction</h2>
<p>
These scripts show the complex between the pancreatic trypsin inhibitor
(PTI) and trypsin. PTI is a small protein, Mr = 8 kDa. PTI binds to trypsin
with high affinity because it contains a peptide bond that is a transition
state analog. (Based on 2ptc.pdb, Marquart et al. (1983)
Acta Crystallogr.,Sect.B <strong>39</strong>: 480)
</p>
<br>
<h2>PTI 1</h2>
<p>
This is the complex between <span style="color:green;">PTI</span> and
<span style="color:gray;">Trypsin</span>.
</p>
<!-- JSMol Window Container -->
<div id="jsmolWindow1"></div>
<!-- UI Control Box -->
<div style="text-align: center;">
<!-- give the button a right margin for spacing -->
<button type="button" id="resetBtn1" style="margin-right: 10px;">Reset</button>
<input type="checkbox" id="spinBox1"> Spin On/Off
</div>
<br>
<h2>PTI 2</h2>
<p>
A <span style="color:red">Lys</span> of the inhibitor binds in the
specificity pocket of trypsin.
</p>
<div id="jsmolWindow2"></div>
<div style="text-align: center; margin-top: 10px;">
<button type="button" id="resetBtn2" style="margin-right: 10px;">Reset</button>
<input type="checkbox" id="spinBox2"> Spin On/Off
</div>
<br>
<h2>PTI 3</h2>
<p>
The peptide bond between the Lys and Ala is distorted, which forces the
<span style="color:green;">carbonyl oxygen</span> of the peptide bond into
the oxyanion hole.
</p>
<div id="jsmolWindow3"></div>
<div style="text-align: center; margin-top: 10px;">
<button type="button" id="resetBtn3" style="margin-right: 10px;">Reset</button>
<input type="checkbox" id="spinBox3"> Spin On/Off
</div>
<br>
<h2>PTI 4</h2>
<p>
The peptide bond involving the Lys is non planar and resembles the reaction
transition state - this inhibitor is a natural transition state analog.
</p>
<div id="jsmolWindow4"></div>
<div style="text-align: center; margin-top: 10px;">
<button type="button" id="resetBtn4" style="margin-right: 10px;">Reset</button>
<input type="checkbox" id="spinBox4"> Spin On/Off
</div>