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Structure of a new ShKT peptide from the sea anemone Telmatactis stephensoni: ShKT-Ts1.
Authors
Sanches, K., Olushola-Siedoks, A.A., Wai, D.C.C., Norton, R.S.
Assembly
ShKT Ts1
Entity
1. ShKT Ts1 (polymer, Thiol state: all disulfide bound), 37 monomers, 4235.740 Da Detail

GACENNFSDR ECERRKKDCD SSMKFRELSC PKTCGTC


Formula weight
4235.74 Da
Entity Connection
disulfide 3 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS3:SG1:CYS37:SG
2disulfidesing1:CYS12:SG1:CYS30:SG
3disulfidesing1:CYS19:SG1:CYS34:SG

Source organism
Telmatactis stephensoni
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 232, 13C: 110, 15N: 41 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111GLYHA2H3.7600.0001
211GLYHA3H3.8140.0301
311GLYCAC43.3290.0001
412ALAHH8.5960.0211
512ALAHAH4.3060.0081
612ALAHB1H1.3440.0171
712ALAHB2H1.3440.0171
812ALAHB3H1.3440.0171
912ALACAC49.7050.0001
1012ALACBC16.6580.0001
1112ALANN123.3130.0001
1213CYSHH8.6300.0161
1313CYSHAH4.8260.0091
1413CYSHB2H3.0120.0142
1513CYSHB3H2.8750.0122
1613CYSCAC60.2190.0001
1713CYSCBC37.3572.2641
1813CYSNN120.6880.0001
1914GLUHH8.1290.0081
2014GLUHAH4.6140.0081
2114GLUHB2H1.7610.0121
2214GLUHB3H1.7600.0111
2314GLUHG2H2.2480.0022
2414GLUHG3H2.1200.0182
2514GLUCAC52.5950.0001
2614GLUCBC28.5980.0001
2714GLUCGC33.1570.0371
2814GLUNN123.9560.0001
2915ASNHH9.1970.0131
3015ASNHAH4.6400.0041
3115ASNHB2H3.2360.0182
3215ASNHB3H2.8920.0102
3315ASNHD21H8.2650.0051
3415ASNHD22H7.4360.0051
3515ASNCAC50.8200.0001
3615ASNCBC37.7350.0131
3715ASNNN119.6880.0001
3815ASNND2N116.6930.0021
3916ASNHH7.9950.0111
4016ASNHAH4.8910.0051
4116ASNHB2H2.8980.0072
4216ASNHB3H2.8140.0062
4316ASNHD21H7.7440.0091
4416ASNHD22H6.9520.0101
4516ASNCAC52.2220.0001
4616ASNCBC37.8470.0191
4716ASNNN118.6890.0001
4816ASNND2N113.6010.0011
4917PHEHH7.3370.0041
5017PHEHAH4.9110.0041
5117PHEHB2H3.2370.0141
5217PHEHB3H3.2370.0141
5317PHEHD1H7.1540.0211
5417PHEHD2H7.1540.0211
5517PHEHE1H7.4040.0341
5617PHEHE2H7.4040.0341
5717PHEHZH7.4290.0101
5817PHECAC57.5960.0001
5917PHECBC40.4770.0001
6017PHECD1C127.0520.0001
6117PHECD2C127.0520.0001
6217PHECE1C126.7330.0001
6317PHECE2C126.7330.0001
6417PHECZC128.7520.0001
6517PHENN118.3700.0001
6618SERHH8.4570.0071
6718SERHAH4.2780.0231
6818SERHB2H4.0180.0152
6918SERHB3H4.2360.0142
7018SERCAC55.1750.0001
7118SERCBC61.2940.0001
7218SERNN113.6240.0001
7319ASPHH8.8470.0041
7419ASPHAH4.1240.0081
7519ASPHB2H2.6150.0052
7619ASPHB3H2.7060.0102
7719ASPCAC56.1600.0001
7819ASPCBC36.5830.0001
7919ASPNN123.5260.0001
80110ARGHH8.3220.0081
81110ARGHAH4.0590.0071
82110ARGHB2H1.7460.0292
83110ARGHB3H1.8580.0122
84110ARGHG2H1.6910.0181
85110ARGHG3H1.6920.0181
86110ARGHD2H3.2180.0061
87110ARGHD3H3.2180.0061
88110ARGHEH7.2340.0031
89110ARGCAC56.6350.0001
90110ARGCBC29.3320.0051
91110ARGCGC26.9260.0001
92110ARGCDC41.1820.0001
93110ARGNN117.3780.0001
94110ARGNEN84.5240.0001
95111GLUHH7.7520.0111
96111GLUHAH4.2450.0051
97111GLUHB2H2.0530.0101
98111GLUHB3H2.0530.0101
99111GLUHG2H2.1950.0051
100111GLUHG3H2.1960.0051
101111GLUCAC54.6640.0001
102111GLUCBC26.3990.0001
103111GLUCGC31.1990.0001
104111GLUNN122.3320.0001
105112CYSHH8.6090.0041
106112CYSHAH4.5430.0071
107112CYSHB2H2.9140.0282
108112CYSHB3H2.9510.0142
109112CYSCAC52.7130.0001
110112CYSCBC36.0960.0031
111112CYSNN117.3000.0001
112113GLUHH8.3790.0041
113113GLUHAH3.9700.0051
114113GLUHB2H2.1000.0061
115113GLUHB3H2.0990.0091
116113GLUHG2H2.3820.0041
117113GLUHG3H2.3800.0061
118113GLUCBC27.7710.0001
119113GLUCGC33.2860.0001
120113GLUNN116.6430.0001
121114ARGHH7.9740.0101
122114ARGHAH4.1370.0131
123114ARGHB2H2.0330.0091
124114ARGHB3H2.0340.0091
125114ARGHG2H1.6940.0192
126114ARGHG3H1.7670.0192
127114ARGHD2H3.1250.0162
128114ARGHD3H3.3140.0142
129114ARGHEH7.7080.0361
130114ARGCAC56.7420.0861
131114ARGCBC29.9480.0001
132114ARGCGC27.0860.0071
133114ARGCDC40.9760.2431
134114ARGNN120.6930.0001
135114ARGNEN83.5540.0001
136115ARGHH7.7680.0101
137115ARGHAH4.4020.0161
138115ARGHB2H2.4590.0101
139115ARGHB3H2.4590.0111
140115ARGHG2H1.7920.0212
141115ARGHG3H1.5410.0102
142115ARGHD2H3.0490.0162
143115ARGHD3H3.3310.0012
144115ARGHEH7.3050.0121
145115ARGCBC28.3800.0001
146115ARGCGC24.2830.0301
147115ARGCDC41.7710.0121
148115ARGNN117.0430.0001
149115ARGNEN84.6270.0001
150116LYSHH7.0690.0061
151116LYSHAH4.2010.0041
152116LYSHG2H1.7640.0092
153116LYSHG3H1.5860.0022
154116LYSHD2H2.0050.0222
155116LYSHD3H1.9750.0192
156116LYSHE2H3.0190.0111
157116LYSHE3H3.0190.0101
158116LYSCAC57.3860.0001
159116LYSCGC25.1980.0001
160116LYSCDC27.6930.0031
161116LYSCEC39.4070.0001
162116LYSNN119.6030.0001
163117LYSHH8.6410.0071
164117LYSHAH4.1460.0051
165117LYSHB2H1.6730.0221
166117LYSHB3H1.6710.0221
167117LYSHG2H1.4430.0212
168117LYSHG3H1.4120.0272
169117LYSHD2H1.7690.0151
170117LYSHD3H1.7680.0151
171117LYSHE2H2.9820.0111
172117LYSHE3H2.9780.0051
173117LYSHZ1H7.0720.0031
174117LYSHZ2H7.0720.0031
175117LYSHZ3H7.0720.0031
176117LYSCBC39.3000.0001
177117LYSCGC21.8530.0101
178117LYSCDC29.5990.0001
179117LYSCEC41.9250.0001
180117LYSNN120.5650.0001
181118ASPHH8.5940.0371
182118ASPHAH4.3860.0101
183118ASPHB2H1.7830.0232
184118ASPHB3H1.6330.0242
185118ASPCBC40.5800.0001
186118ASPNN121.1290.0001
187119CYSHH8.0040.0121
188119CYSHAH4.4150.0151
189119CYSHB2H3.0260.0132
190119CYSHB3H3.3400.0052
191119CYSCAC55.1600.0001
192119CYSCBC34.5150.0111
193119CYSNN117.9730.0001
194120ASPHH7.6640.0091
195120ASPHAH4.6070.0021
196120ASPHB2H2.6720.0072
197120ASPHB3H2.7840.0122
198120ASPCAC55.8030.0001
199120ASPCBC38.2620.0051
200120ASPNN113.8700.0001
201121SERHH7.4030.0081
202121SERHAH4.6040.0051
203121SERHB2H3.9070.0062
204121SERHB3H3.7440.0092
205121SERCAC51.4160.0001
206121SERCBC61.9810.0031
207121SERNN116.5610.0001
208122SERHH7.5150.0121
209122SERHAH4.9360.0041
210122SERHB2H3.8990.0061
211122SERHB3H3.9000.0071
212122SERCAC59.3630.0001
213122SERCBC60.1090.0001
214122SERNN115.8940.0001
215123METHH8.9770.0011
216123METHAH4.1150.0071
217123METHB2H2.0520.0102
218123METHB3H2.1290.0072
219123METHG2H2.6000.0172
220123METHG3H2.5030.0222
221123METHE1H2.0620.0181
222123METHE2H2.0620.0181
223123METHE3H2.0620.0181
224123METCAC55.5410.0001
225123METCBC29.1850.0051
226123METCGC29.1950.0211
227123METCEC14.3270.0001
228123METNN130.3670.0001
229124LYSHH8.4460.0051
230124LYSHAH3.9990.0101
231124LYSHB2H1.8550.0111
232124LYSHB3H1.8540.0121
233124LYSHG2H1.3600.0012
234124LYSHG3H1.5180.0142
235124LYSHD2H1.6880.0071
236124LYSHD3H1.6870.0071
237124LYSHE2H2.9490.0111
238124LYSHE3H2.9490.0111
239124LYSCAC56.8340.0171
240124LYSCBC29.6620.0001
241124LYSCGC22.5900.0181
242124LYSCDC27.6010.0001
243124LYSCEC39.9340.0001
244124LYSNN113.8300.0001
245125PHEHH7.9370.0091
246125PHEHAH3.9230.0151
247125PHEHB2H3.0870.0232
248125PHEHB3H3.1420.0132
249125PHEHD1H6.9670.0061
250125PHEHD2H6.9670.0061
251125PHEHE1H7.4120.0161
252125PHEHE2H7.4120.0161
253125PHEHZH7.1690.0161
254125PHECAC58.7030.0001
255125PHECBC36.7270.0051
256125PHECD1C128.5060.0001
257125PHECD2C128.5060.0001
258125PHECE1C128.7320.0001
259125PHECE2C128.7320.0001
260125PHECZC128.1750.0001
261125PHENN120.9270.0001
262126ARGHH8.0560.0051
263126ARGHAH4.2020.0041
264126ARGHB2H1.9720.0072
265126ARGHB3H2.1150.0052
266126ARGHG2H1.6430.0131
267126ARGHG3H1.6430.0141
268126ARGHD2H3.2730.0102
269126ARGHD3H3.4650.0072
270126ARGHEH7.4350.0211
271126ARGCAC55.5400.0001
272126ARGCBC29.5490.0051
273126ARGCGC26.5070.0001
274126ARGCDC40.7940.0011
275126ARGNN114.6910.0001
276126ARGNEN84.9230.0001
277127GLUHH8.2520.0091
278127GLUHAH4.2770.0191
279127GLUHB2H2.0000.0212
280127GLUHB3H2.0500.0152
281127GLUHG2H2.3700.0102
282127GLUHG3H2.5450.0152
283127GLUCAC55.9790.0001
284127GLUCBC29.5490.0131
285127GLUCGC32.7730.1261
286127GLUNN115.5200.0001
287128LEUHH8.1420.0151
288128LEUHAH4.5340.0071
289128LEUHB2H1.5400.0091
290128LEUHB3H1.5400.0091
291128LEUHGH1.8360.0191
292128LEUHD11H0.8080.0052
293128LEUHD12H0.8080.0052
294128LEUHD13H0.8080.0052
295128LEUHD21H0.8850.0062
296128LEUHD22H0.8850.0062
297128LEUHD23H0.8850.0062
298128LEUCAC52.9360.0001
299128LEUCBC39.0231.1351
300128LEUCGC27.3600.0001
301128LEUCD1C20.4190.0002
302128LEUCD2C22.2930.0002
303128LEUNN116.6810.1281
304129SERHH7.6920.0071
305129SERHAH3.9690.0221
306129SERHB2H2.3800.0102
307129SERHB3H3.0630.0182
308129SERCAC58.9030.0001
309129SERCBC58.9360.0021
310129SERNN115.4170.0001
311130CYSHH8.1590.0151
312130CYSHAH5.2530.0091
313130CYSHB2H1.5380.0102
314130CYSHB3H2.7390.0082
315130CYSCAC50.9120.0001
316130CYSCBC38.2640.0021
317130CYSNN118.8190.0001
318131PROHAH4.5310.0101
319131PROHB2H2.0290.0082
320131PROHB3H1.9420.0122
321131PROHG2H1.7990.0182
322131PROHG3H1.9450.0152
323131PROHD2H2.8830.0132
324131PROHD3H3.4760.0132
325131PROCAC62.6740.0001
326131PROCBC24.8310.0231
327131PROCGC28.6530.0211
328131PROCDC47.7290.0021
329132LYSHH6.8810.0111
330132LYSHAH4.0800.0171
331132LYSHB2H1.7540.0232
332132LYSHB3H1.6140.0122
333132LYSHG2H1.1450.0092
334132LYSHG3H1.3890.0042
335132LYSHD2H1.2840.0062
336132LYSHD3H1.4710.0102
337132LYSHE2H2.9820.0232
338132LYSHE3H2.8840.0162
339132LYSCAC56.2960.0001
340132LYSCBC35.2100.0211
341132LYSCGC22.0350.0351
342132LYSCDC29.4260.0021
343132LYSCEC39.6990.0031
344132LYSNN117.8260.0001
345133THRHH8.3940.0071
346133THRHAH3.9160.0031
347133THRHBH3.7030.0051
348133THRHG21H1.1550.0041
349133THRHG22H1.1550.0041
350133THRHG23H1.1550.0041
351133THRCAC64.6390.0001
352133THRCBC66.8310.0001
353133THRCG2C18.8040.0001
354133THRNN120.6680.0001
355134CYSHH8.4890.0061
356134CYSHAH4.8600.0141
357134CYSHB2H2.7980.0132
358134CYSHB3H3.3910.0132
359134CYSCAC59.7000.0001
360134CYSCBC33.0520.0041
361134CYSNN113.6010.0001
362135GLYHH7.7960.0091
363135GLYHA2H4.0740.0101
364135GLYHA3H4.0740.0111
365135GLYCAC43.8810.0001
366135GLYNN109.3590.0001
367136THRHH8.7620.0061
368136THRHAH4.1460.0181
369136THRHBH4.3300.0031
370136THRHG21H1.1200.0161
371136THRHG22H1.1200.0161
372136THRHG23H1.1200.0161
373136THRCAC59.9020.0001
374136THRCBC65.8310.0001
375136THRCG2C20.1780.0001
376136THRNN115.0260.0001
377137CYSHH7.5370.0081
378137CYSHAH4.3990.0101
379137CYSHB2H3.4280.0112
380137CYSHB3H2.8940.0102
381137CYSCAC53.0540.0001
382137CYSCBC36.3320.1061
383137CYSNN121.5230.0001

Release date
2023-04-02
Citation
Structure-function relationships in ShKT domain peptides: ShKT-Ts1 from the sea anemone Telmatactis stephensoni
Sanches, K., Ashwood, L.M., Olushola-Siedoks, A.A., Wai, D., Rahman, A., Shakeel, K., Naseem, M.U., Panyi, G., Prentis, P.J., Norton, R.S.
Proteins (2023), 92, 192-205, PubMed 37794633 , DOI 10.1002/prot.26594 ,
Related entities 1. ShKT Ts1, : 1 : 9 entities Detail
Experiments performed 6 experiments Detail
Chemical shift validation 3 contents Detail