In response to the declaration of global pandemic of Coronavirus infectious disease 2019 (COVID-19) caused by Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), we provide comprehensive content on Coronavirus molecular structures and its interactions:

Search

Fusion Peptide of SARS-CoV-2 Spike Rearranges into a Wedge Inserted in Bilayered Micelles
Authors
Koppisetti, R.K., Fulcher, Y.G., Van Doren, S.R.
Assembly
Spike protein S2
Entity
1. Spike protein S2 (polymer), 42 monomers, 4581.186 Da Detail

SFIEDLLFNK VTLADAGFIK QYGDCLGDVA ARDLICAQKF NG


Formula weight
4581.186 Da
Source organism
Severe acute respiratory syndrome coronavirus 2
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 271, 13C: 176, 15N: 41 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111SERHAH4.7171
211SERHB2H4.2972
311SERHB3H4.0672
411SERCBC63.7001
512PHEHAH4.4971
612PHEHB2H3.3572
712PHEHB3H3.0922
812PHEHD1H7.2871
912PHEHD2H7.2871
1012PHEHE1H7.2321
1112PHEHE2H7.2321
1212PHECC176.8001
1312PHECAC60.6701
1412PHECBC39.0601
1512PHECD1C131.2601
1612PHECD2C131.2601
1712PHECE1C130.0301
1812PHECE2C130.0301
1913ILEHH8.2071
2013ILEHAH3.6241
2113ILEHBH1.7941
2213ILEHG12H1.4612
2313ILEHG13H1.1742
2413ILEHG21H0.8571
2513ILEHG22H0.8571
2613ILEHG23H0.8571
2713ILEHD11H0.8581
2813ILEHD12H0.8581
2913ILEHD13H0.8581
3013ILECC176.9161
3113ILECAC63.1031
3213ILECBC37.0501
3313ILECG1C28.1721
3413ILECG2C17.1111
3513ILECD1C12.0501
3613ILENN118.5001
3714GLUHH7.5761
3814GLUHAH3.8031
3914GLUHB2H2.0942
4014GLUHB3H2.0942
4114GLUHG2H2.2552
4214GLUHG3H2.1832
4314GLUCC178.1861
4414GLUCAC59.6191
4514GLUCBC29.4631
4614GLUCGC36.7381
4714GLUNN121.2011
4815ASPHH7.9001
4915ASPHAH4.3491
5015ASPHB2H2.7552
5115ASPHB3H2.5402
5215ASPCC178.3461
5315ASPCAC56.7691
5415ASPCBC39.7681
5515ASPNN119.9291
5616LEUHH7.8931
5716LEUHAH4.0421
5816LEUHB2H1.4732
5916LEUHGH1.5081
6016LEUHD11H0.7702
6116LEUHD12H0.7702
6216LEUHD13H0.7702
6316LEUCC178.6211
6416LEUCAC56.8561
6516LEUCBC42.2771
6616LEUCGC26.1111
6716LEUCD1C23.8192
6816LEUNN120.821
6917LEUHH7.7481
7017LEUHAH4.0271
7117LEUHB2H1.5122
7217LEUHB3H1.1662
7317LEUHGH1.6351
7417LEUHD11H0.7492
7517LEUHD12H0.7492
7617LEUHD13H0.7492
7717LEUHD21H0.7112
7817LEUHD22H0.7112
7917LEUHD23H0.7112
8017LEUCC177.8051
8117LEUCAC56.4141
8217LEUCBC41.9201
8317LEUCGC25.9091
8417LEUCD1C24.5762
8517LEUCD2C22.5102
8617LEUNN117.9741
8718PHEHH7.9451
8818PHEHAH4.6191
8918PHEHB2H3.3202
9018PHEHB3H3.0252
9118PHEHD1H7.3371
9218PHEHD2H7.3371
9318PHEHE1H7.2871
9418PHEHE2H7.2871
9518PHECC176.1351
9618PHECAC57.5831
9718PHECBC38.4781
9818PHECE1C130.1001
9918PHECE2C130.1001
10018PHENN116.2941
10119ASNHH7.9951
10219ASNHAH4.6651
10319ASNHB2H2.9882
10419ASNHB3H2.8082
10519ASNCC175.4181
10619ASNCAC53.7551
10719ASNCBC38.4561
10819ASNNN118.0051
109110LYSHH8.3431
110110LYSHAH4.2981
111110LYSHB2H1.9072
112110LYSHB3H1.7902
113110LYSHG2H1.4622
114110LYSHG3H1.4222
115110LYSHD2H1.6642
116110LYSHD3H1.6642
117110LYSHE2H2.9612
118110LYSHE3H2.9612
119110LYSCC176.8161
120110LYSCAC56.5191
121110LYSCBC32.6471
122110LYSCDC28.2151
123110LYSCEC41.3531
124110LYSNN119.3141
125111VALHH7.7841
126111VALHAH4.2001
127111VALHBH2.1011
128111VALHG11H0.9002
129111VALHG12H0.9002
130111VALHG13H0.9002
131111VALHG21H0.8662
132111VALHG22H0.8662
133111VALHG23H0.8662
134111VALCC175.7811
135111VALCAC61.8051
136111VALCBC32.9351
137111VALCG1C20.5852
138111VALCG2C20.1672
139111VALNN119.0291
140112THRHH8.2281
141112THRHAH4.4171
142112THRHBH4.2821
143112THRCC175.1211
144112THRCAC61.2121
145112THRCBC70.1471
146112THRCG2C20.8391
147112THRNN117.3441
148113LEUHH8.3721
149113LEUHAH4.2321
150113LEUHB2H1.7022
151113LEUHB3H1.5832
152113LEUHGH1.6691
153113LEUHD11H0.9042
154113LEUHD12H0.9042
155113LEUHD13H0.9042
156113LEUHD21H0.8502
157113LEUHD22H0.8502
158113LEUHD23H0.8502
159113LEUCC177.6891
160113LEUCAC55.9781
161113LEUCBC41.8221
162113LEUCGC26.2001
163113LEUCD1C24.0422
164113LEUCD2C23.0432
165113LEUNN123.7691
166114ALAHH8.0331
167114ALAHAH4.2071
168114ALAHB1H1.3781
169114ALAHB2H1.3781
170114ALAHB3H1.3781
171114ALACC178.2081
172114ALACAC52.5451
173114ALACBC18.6161
174114ALANN122.7491
175115ASPHH7.9371
176115ASPHAH4.5621
177115ASPHB2H2.7522
178115ASPHB3H2.6362
179115ASPCC176.6181
180115ASPCAC54.3231
181115ASPCBC41.3801
182115ASPNN119.2041
183116ALAHH8.0741
184116ALAHAH4.2121
185116ALAHB1H1.3821
186116ALAHB2H1.3821
187116ALAHB3H1.3821
188116ALACC178.5161
189116ALACAC52.7791
190116ALACBC18.4911
191116ALANN124.191
192117GLYHH8.3511
193117GLYHA2H3.9422
194117GLYHA3H3.8262
195117GLYCC175.4551
196117GLYCAC45.5401
197117GLYNN108.1751
198118PHEHH8.0091
199118PHEHAH4.4951
200118PHEHB2H3.1552
201118PHEHB3H3.1552
202118PHEHD1H7.2571
203118PHEHD2H7.2571
204118PHEHE1H7.2571
205118PHEHE2H7.2571
206118PHECC176.3501
207118PHECAC59.0751
208118PHECBC39.0831
209118PHECD1C131.1001
210118PHECD2C131.1001
211118PHECE1C130.3601
212118PHECE2C130.3601
213118PHENN120.8331
214119ILEHH7.6671
215119ILEHAH3.8901
216119ILEHBH1.8691
217119ILEHG12H1.4292
218119ILEHG13H1.0892
219119ILEHG21H0.8591
220119ILEHG22H0.8591
221119ILEHG23H0.8591
222119ILEHD11H0.8201
223119ILEHD12H0.8201
224119ILEHD13H0.8201
225119ILECC177.0751
226119ILECAC62.0211
227119ILECBC37.8821
228119ILECG1C27.2111
229119ILECG2C16.7981
230119ILECD1C12.0741
231119ILENN120.2841
232120LYSHH7.9561
233120LYSHAH4.1171
234120LYSHB2H1.7882
235120LYSHG2H1.4312
236120LYSHG3H1.3852
237120LYSHD2H1.6642
238120LYSHE2H2.9572
239120LYSCC177.4671
240120LYSCAC57.4441
241120LYSCBC32.4111
242120LYSCGC24.1321
243120LYSCDC28.2151
244120LYSCEC41.3151
245120LYSNN123.1721
246121GLNHH7.9521
247121GLNHAH4.1571
248121GLNHB2H1.8862
249121GLNHB3H1.8862
250121GLNHG2H2.1272
251121GLNHG3H2.1272
252121GLNCC176.7021
253121GLNCAC56.5131
254121GLNCBC28.9601
255121GLNCGC32.9031
256121GLNNN119.4821
257122TYRHH7.9941
258122TYRHAH4.4361
259122TYRHB2H3.0272
260122TYRHB3H2.7342
261122TYRHD1H7.0071
262122TYRHD2H7.0071
263122TYRHE1H6.7271
264122TYRHE2H6.7271
265122TYRCC176.8711
266122TYRCAC58.6941
267122TYRCBC38.6101
268122TYRCD1C132.1001
269122TYRCD2C132.1001
270122TYRNN120.0251
271123GLYHH8.1531
272123GLYHA2H3.9412
273123GLYHA3H3.8292
274123GLYCC174.5941
275123GLYCAC45.8041
276123GLYNN109.3521
277124ASPHH8.1901
278124ASPHAH4.5111
279124ASPHB2H3.0582
280124ASPHB3H2.6712
281124ASPCC177.1321
282124ASPCAC54.5521
283124ASPCBC40.4531
284124ASPNN121.2791
285125CYSHH8.2011
286125CYSHAH4.6241
287125CYSHB2H3.2602
288125CYSHB3H3.0682
289125CYSCC174.7471
290125CYSCAC55.7301
291125CYSCBC40.4401
292125CYSNN118.5351
293126LEUHH7.9851
294126LEUHAH4.3591
295126LEUHB2H1.6972
296126LEUHB3H1.5682
297126LEUHGH1.6291
298126LEUHD11H0.8772
299126LEUHD12H0.8772
300126LEUHD13H0.8772
301126LEUHD21H0.8312
302126LEUHD22H0.8312
303126LEUHD23H0.8312
304126LEUCC177.6231
305126LEUCAC54.9601
306126LEUCBC42.2691
307126LEUCD1C24.4582
308126LEUCD2C22.5652
309126LEUNN121.9121
310127GLYHH8.1151
311127GLYHA2H3.9752
312127GLYHA3H3.9332
313127GLYCC173.9901
314127GLYCAC44.9281
315127GLYNN108.8931
316128ASPHH8.1691
317128ASPHAH4.5861
318128ASPHB2H2.7482
319128ASPHB3H2.6382
320128ASPCC177.1161
321128ASPCAC54.2101
322128ASPCBC40.7731
323128ASPNN121.7881
324129VALHH8.0261
325129VALHAH3.9431
326129VALHBH2.1301
327129VALHG11H0.9442
328129VALHG12H0.9442
329129VALHG13H0.9442
330129VALHG21H0.9482
331129VALHG22H0.9482
332129VALHG23H0.9482
333129VALCC176.7401
334129VALCAC63.1331
335129VALCBC32.1241
336129VALCG1C20.4002
337129VALCG2C19.9782
338129VALNN121.3671
339130ALAHH8.2081
340130ALAHAH4.2351
341130ALAHB1H1.4031
342130ALAHB2H1.4031
343130ALAHB3H1.4031
344130ALACC178.1621
345130ALACAC52.8621
346130ALACBC18.5851
347130ALANN125.7291
348131ALAHH7.8561
349131ALAHAH4.2721
350131ALAHB1H1.4261
351131ALAHB2H1.4261
352131ALAHB3H1.4261
353131ALACC177.9481
354131ALACAC52.9771
355131ALACBC18.6571
356131ALANN121.5561
357132ARGHH7.9461
358132ARGHAH4.1791
359132ARGHB2H1.8882
360132ARGHB3H1.8312
361132ARGHG2H1.6742
362132ARGHG3H1.6142
363132ARGHD2H3.1792
364132ARGHD3H3.1792
365132ARGCC176.3841
366132ARGCAC56.7291
367132ARGCBC30.3031
368132ARGCGC26.2141
369132ARGCDC42.7381
370132ARGNN119.241
371133ASPHH8.1451
372133ASPHAH4.2251
373133ASPHB2H2.7192
374133ASPHB3H2.6482
375133ASPCC176.5571
376133ASPCAC54.1751
377133ASPCBC40.9811
378133ASPNN120.5951
379134LEUHH8.0631
380134LEUHAH4.2401
381134LEUHB2H1.7052
382134LEUHB3H1.5942
383134LEUHGH1.6401
384134LEUHD11H0.9112
385134LEUHD12H0.9112
386134LEUHD13H0.9112
387134LEUHD21H0.8562
388134LEUHD22H0.8562
389134LEUHD23H0.8562
390134LEUCC178.0151
391134LEUCAC56.1241
392134LEUCBC42.0101
393134LEUCGC26.2231
394134LEUCD1C24.1672
395134LEUCD2C22.8472
396134LEUNN122.5691
397135ILEHH8.0801
398135ILEHAH4.0901
399135ILEHBH1.9241
400135ILEHG12H1.4922
401135ILEHG13H1.2002
402135ILEHG21H0.8771
403135ILEHG22H0.8771
404135ILEHG23H0.8771
405135ILEHD11H0.8271
406135ILEHD12H0.8271
407135ILEHD13H0.8271
408135ILECC177.0121
409135ILECAC61.7761
410135ILECBC38.0991
411135ILECG1C27.0341
412135ILECG2C16.9471
413135ILECD1C12.1801
414135ILENN119.5741
415136CYSHH8.2361
416136CYSHAH4.6231
417136CYSHB2H3.2062
418136CYSHB3H3.0702
419136CYSCC175.0631
420136CYSCAC55.7921
421136CYSCBC39.2791
422136CYSNN121.0391
423137ALAHH8.1271
424137ALAHAH4.2591
425137ALAHB1H1.4251
426137ALAHB2H1.4251
427137ALAHB3H1.4251
428137ALACC178.0751
429137ALACAC52.8071
430137ALACBC18.7971
431137ALANN124.8891
432138GLNHH8.0611
433138GLNHAH4.2231
434138GLNHB2H2.0382
435138GLNHB3H1.9722
436138GLNHG2H2.3322
437138GLNCC176.3261
438138GLNCAC55.9551
439138GLNCBC28.9661
440138GLNCGC33.1301
441138GLNNN119.0151
442139LYSHH8.0121
443139LYSHAH4.2421
444139LYSHB2H1.6652
445139LYSHB3H1.6652
446139LYSHG2H1.3132
447139LYSHG3H1.2842
448139LYSHD2H1.6042
449139LYSHD3H1.6042
450139LYSHE2H2.9262
451139LYSHE3H2.9262
452139LYSCC176.5351
453139LYSCAC56.0051
454139LYSCBC32.7831
455139LYSCGC23.8071
456139LYSCDC28.2011
457139LYSCEC41.3031
458139LYSNN121.9641
459140PHEHH8.1621
460140PHEHAH4.6191
461140PHEHB2H3.1552
462140PHEHB3H3.0012
463140PHEHD1H7.2671
464140PHEHD2H7.2671
465140PHEHE1H7.2971
466140PHEHE2H7.2971
467140PHECC175.5711
468140PHECAC57.5201
469140PHECBC39.3561
470140PHECD1C131.1001
471140PHECD2C131.1001
472140PHECE1C130.4501
473140PHECE2C130.4501
474140PHENN121.6291
475141ASNHH8.2631
476141ASNHAH4.7141
477141ASNHB2H2.8062
478141ASNHB3H2.6662
479141ASNCC174.5071
480141ASNCAC52.5891
481141ASNCBC39.1821
482141ASNNN122.0221
483141ASNND2N114.11
484142GLYHH7.3981
485142GLYHA2H3.6812
486142GLYCC178.8931
487142GLYCAC45.9481
488142GLYNN115.7931

Release date
2021-06-03
Citation
Fusion Peptide of SARS-CoV-2 Spike Rearranges into a Wedge Inserted in Bilayered Micelles
Koppisetti, R.K., Fulcher, Y.G., Van Doren, S.R.
J. Am. Chem. Soc. (2021), 143, 13205-13211, PubMed 34375093 , DOI 10.1021/jacs.1c05435 ,
Related entities 1. Spike protein S2, : 1 : 1 : 101 : 48 entities Detail
Experiments performed 14 experiments Detail
Chemical shift validation 3 contents Detail
Keywords Fusion Peptide, LIPID BINDING PROTEIN