-
Notifications
You must be signed in to change notification settings - Fork 1
Expand file tree
/
Copy pathserprotev.html
More file actions
296 lines (272 loc) · 10.2 KB
/
serprotev.html
File metadata and controls
296 lines (272 loc) · 10.2 KB
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
<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/serprotev1.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/serprotev2.txt";
Jmol.getApplet("myJmol2", Info);
Info.script = "script scripts/serprotev3.txt";
Jmol.getApplet("myJmol3", Info);
Info.script = "script scripts/serprotev4.txt";
Jmol.getApplet("myJmol4", Info);
Info.script = "script scripts/serprotev5.txt";
Jmol.getApplet("myJmol5", Info);
Info.script = "script scripts/serprotev6.txt";
Jmol.getApplet("myJmol6", Info);
Info.script = "script scripts/serprotev7.txt";
Jmol.getApplet("myJmol7", 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));
$("#jsmolWindow5").html(Jmol.getAppletHtml(myJmol5));
$("#jsmolWindow6").html(Jmol.getAppletHtml(myJmol6));
$("#jsmolWindow7").html(Jmol.getAppletHtml(myJmol7));
// 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"
});
$("#myJmol5_appletinfotablediv").css({
"margin-top": "10px",
"margin-right": "auto",
"margin-bottom": "10px",
"margin-left": "auto"
});
$("#myJmol6_appletinfotablediv").css({
"margin-top": "10px",
"margin-right": "auto",
"margin-bottom": "10px",
"margin-left": "auto"
});
$("#myJmol7_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);
$("#resetBtn5").click(reset5);
$("#resetBtn6").click(reset6);
$("#resetBtn7").click(reset7);
$("#spinBox1").click(spin1);
$("#spinBox2").click(spin2);
$("#spinBox3").click(spin3);
$("#spinBox4").click(spin4);
$("#spinBox5").click(spin5);
$("#spinBox6").click(spin6);
$("#spinBox7").click(spin7);
});
function reset1(event){
Jmol.script(myJmol1, "script scripts/serprotev1.txt")
};
function reset2(event){
Jmol.script(myJmol2, "script scripts/serprotev2.txt")
};
function reset3(event){
Jmol.script(myJmol3, "script scripts/serprotev3.txt")
};
function reset4(event){
Jmol.script(myJmol4, "script scripts/serprotev4.txt")
};
function reset5(event){
Jmol.script(myJmol5, "script scripts/serprotev5.txt")
};
function reset6(event){
Jmol.script(myJmol6, "script scripts/serprotev6.txt")
};
function reset7(event){
Jmol.script(myJmol7, "script scripts/serprotev7.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")
};
};
function spin5(event){
if (event.target.checked){
Jmol.script(myJmol5, "set spin x 10; set spin y 10; spin on")
} else {
Jmol.script(myJmol5, "spin off")
};
};
function spin6(event){
if (event.target.checked){
Jmol.script(myJmol6, "set spin x 10; set spin y 10; spin on")
} else {
Jmol.script(myJmol6, "spin off")
};
};
function spin7(event){
if (event.target.checked){
Jmol.script(myJmol7, "set spin x 10; set spin y 10; spin on")
} else {
Jmol.script(myJmol7, "spin off")
};
};
// turn off the JSMol alert that binary file loading is limited
Jmol._alertNoBinary = false;
</script>
<!-- Page Title: Serine Protease Evolution -->
<h2>Introduction</h2>
<p>
These scripts compare the substrate-binding pockets of elastase and
chymotrypsin, two serine proteases. (Based on 7est.pdb, de la Sierra et al.
(1990) J.Mol.Recog. <strong>3</strong>: 36-44)
</p>
<br>
<h2>Serine Protease Evolution 1</h2>
<p>
<span style="color:blue;">Elastase</span> and <span style="color:lime;">
chymotrypsin</span> are both serine proteases. Note the close similarity of
the tertiary structures of these enzymes.
</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>Serine Protease Evolution 2</h2>
<p>
Indeed, the structure of the catalytic triad is almost identical in the two
enzymes.
</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>Serine Protease Evolution 3</h2>
<p>
Elastase has a specificity for substrates with <span style="color:red;">
small alipathic sidechains</span>, which bind near the
<span style="color:lime;">catalytic triad</span> and are held in place by
<span style="color:orange;">large bulky</span> sidechains of the enzyme.
</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>Serine Protease Evolution 4</h2>
<p>
Chymotrypsin has a specificity for substrates with
<span style="color:magenta;">large aromatic sidechains</span>, which bind
near the <span style="color:lime;">catalytic triad</span> and are held in
place by a binding pocket whose entrance contains Gly
(<span style="color:gold;">YELLOW</span>) sidechains with
<span style="color:blue;">Ser</span> at the bottom of the pocket.
</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>
<br>
<h2>Serine Protease Evolution 5</h2>
<p>
Here we see how the large sidechain of the <span style="color:magenta;">
chymotrypsin substrate</span> is incompatible with the
<span style="color:orange;">elastase</span> binding pocket.
</p>
<div id="jsmolWindow5"></div>
<div style="text-align: center; margin-top: 10px;">
<button type="button" id="resetBtn5" style="margin-right: 10px;">Reset</button>
<input type="checkbox" id="spinBox5"> Spin On/Off
</div>
<br>
<h2>Serine Protease Evolution 6</h2>
<p>
Here we compare the binding of the <span style="color:magenta;">chymotrypsin
substrate</span> to <span style="color:lime;">chymotrypsin</span> and
<span style="color:orange;">elastase</span>.
</p>
<div id="jsmolWindow6"></div>
<div style="text-align: center; margin-top: 10px;">
<button type="button" id="resetBtn6" style="margin-right: 10px;">Reset</button>
<input type="checkbox" id="spinBox6"> Spin On/Off
</div>
<br>
<h2>Serine Protease Evolution 7</h2>
<p>
Here we compare the binding of the <span style="color:red;">elastase
substrate</span> to <span style="color:lime;">chymotrypsin</span> and
<span style="color:orange;">elastase</span>.
</p>
<div id="jsmolWindow7"></div>
<div style="text-align: center; margin-top: 10px;">
<button type="button" id="resetBtn7" style="margin-right: 10px;">Reset</button>
<input type="checkbox" id="spinBox7"> Spin On/Off
</div>