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BMRB: 52017


52017
8FWJ
KaiBRS-3m
Authors
Wayment-Steele, H., Ojoawo, A.M., Otten, R., Apitz, J., Pitsawong, W., Ovchinnikov, S., Colwell, L.
Assembly
KaiB-RS-3m
Entity
1. KaiB-RS-3m (polymer, Thiol state: all free), 90 monomers, 10190.84 Da Detail

MGRRLVLYVA GQTPKSLAAI SNLRRICEEN LPGQYEVEVI DLKQNPRLAK EHSIVAIPTL VRELPVPRRK IIGDLSDKEQ VLDALKMDME


Formula weight
10190.84 Da
Source organism
Cereibacter sphaeroides
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 83, 13C: 253, 15N: 83 assignments Detail
Download
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111METHH8.3930
211METCC176.4970
311METCAC55.5490
411METCBC33.0660
511METNN119.3570
612GLYHH8.3080
712GLYCC173.1980
812GLYCAC45.6150
912GLYNN109.4060
1013ARGHH7.690
1113ARGCC175.6930
1213ARGCAC55.350
1313ARGCBC32.3740
1413ARGNN119.1480
1514ARGHH9.0560
1614ARGCC174.0490
1714ARGCAC56.1680
1814ARGCBC34.2450
1914ARGNN124.8620
2015LEUHH9.1080
2115LEUCC174.7940
2215LEUCAC52.8710
2315LEUCBC44.7770
2415LEUNN127.2580
2516VALHH9.0540
2616VALCC173.6040
2716VALCAC60.60
2816VALCBC34.2150
2916VALNN121.80
3017LEUHH8.8240
3117LEUCC173.70
3217LEUCAC52.6720
3317LEUCBC44.4180
3417LEUNN128.9210
3518TYRHH9.3680
3618TYRCC175.7390
3718TYRCAC57.7340
3818TYRCBC39.3920
3918TYRNN126.5290
4019VALHH8.7340
4119VALCC173.7760
4219VALCAC58.7960
4319VALCBC35.270
4419VALNN113.2190
45110ALAHH7.9960
46110ALACC176.2370
47110ALACAC51.4220
48110ALACBC19.6540
49110ALANN120.9050
50111GLYHH9.2770
51111GLYCC172.990
52111GLYCAC45.9960
53111GLYNN113.9940
54112GLNHH8.4810
55112GLNCC175.4880
56112GLNCAC54.4310
57112GLNCBC27.8310
58112GLNNN121.2940
59113THRHH7.3440
60113THRCAC59.6660
61113THRCBC68.8930
62113THRNN111.0570
63114PROCC179.8520
64114PROCAC66.7030
65114PROCBC31.980
66115LYSHH8.5090
67115LYSCC179.0640
68115LYSCAC59.6980
69115LYSCBC32.7350
70115LYSNN116.3270
71116SERHH7.6250
72116SERCC175.2140
73116SERCAC63.550
74116SERNN117.1090
75117LEUHH8.3440
76117LEUCC180.2680
77117LEUCAC57.9290
78117LEUCBC41.1550
79117LEUNN120.6030
80118ALAHH8.0410
81118ALACC178.7960
82118ALACAC54.8740
83118ALACBC18.1340
84118ALANN122.0290
85119ALAHH7.760
86119ALACC179.1640
87119ALACAC55.320
88119ALACBC18.6270
89119ALANN120.560
90120ILEHH7.9350
91120ILECC178.1450
92120ILECAC65.7940
93120ILECBC39.0920
94120ILENN116.7990
95121SERHH7.840
96121SERCC177.3630
97121SERCAC61.5970
98121SERCBC62.9180
99121SERNN113.6960
100122ASNHH8.850
101122ASNCC177.5580
102122ASNCAC55.7360
103122ASNCBC38.0040
104122ASNNN120.3830
105123LEUHH8.5280
106123LEUCC178.4080
107123LEUCAC57.690
108123LEUCBC41.3670
109123LEUNN120.7250
110124ARGHH8.1660
111124ARGCC178.5650
112124ARGCAC59.8840
113124ARGCBC29.4460
114124ARGNN118.1870
115125ARGHH7.7420
116125ARGCC178.520
117125ARGCAC59.6960
118125ARGCBC29.8460
119125ARGNN118.1180
120126ILEHH8.1260
121126ILECC179.4670
122126ILECAC64.9830
123126ILECBC38.5890
124126ILENN119.430
125127CYSHH8.3910
126127CYSCC175.5680
127127CYSCAC64.8860
128127CYSCBC26.8510
129127CYSNN117.650
130128GLUHH8.0990
131128GLUCC178.0740
132128GLUCAC58.6850
133128GLUCBC30.3550
134128GLUNN116.5480
135129GLUHH8.3790
136129GLUCC177.7140
137129GLUCAC58.0080
138129GLUCBC30.7160
139129GLUNN114.3440
140130ASNHH7.8330
141130ASNCC174.6530
142130ASNCAC55.6090
143130ASNCBC42.1120
144130ASNNN114.0120
145131LEUHH7.9780
146131LEUCAC52.3770
147131LEUCBC43.5220
148131LEUNN119.7520
149132PROCC179.5880
150132PROCAC64.5410
151132PROCBC30.8090
152133GLYHH8.840
153133GLYCC174.7640
154133GLYCAC45.9350
155133GLYNN110.8210
156134GLNHH7.80
157134GLNCC175.620
158134GLNCAC57.8580
159134GLNCBC30.1150
160134GLNNN118.1610
161135TYRHH8.770
162135TYRCC176.0030
163135TYRCAC57.8780
164135TYRCBC41.6560
165135TYRNN116.2070
166136GLUHH8.1560
167136GLUCC175.1230
168136GLUCAC55.650
169136GLUCBC31.4360
170136GLUNN121.9110
171137VALHH8.5460
172137VALCC175.1820
173137VALCAC61.3840
174137VALCBC34.5180
175137VALNN124.1610
176138GLUHH8.6390
177138GLUCC173.5720
178138GLUCAC54.7190
179138GLUCBC32.8040
180138GLUNN129.6180
181139VALHH8.4590
182139VALCC175.9020
183139VALCAC61.3250
184139VALCBC32.8290
185139VALNN125.550
186140ILEHH9.0950
187140ILECC173.4540
188140ILECAC60.0270
189140ILECBC39.2980
190140ILENN130.3020
191141ASPHH8.6310
192141ASPCC178.2070
193141ASPCAC52.1090
194141ASPCBC41.0760
195141ASPNN125.8630
196142LEUHH9.6390
197142LEUCC178.8260
198142LEUCAC56.3360
199142LEUCBC42.2060
200142LEUNN127.5410
201143LYSHH8.7560
202143LYSCC178.2040
203143LYSCAC58.5290
204143LYSCBC32.0370
205143LYSNN118.8320
206144GLNHH7.2630
207144GLNCC175.9140
208144GLNCAC56.2680
209144GLNCBC29.5520
210144GLNNN115.5430
211145ASNHH7.450
212145ASNCAC51.2060
213145ASNCBC39.6980
214145ASNNN114.3020
215146PROCC179.7080
216146PROCAC65.140
217146PROCBC31.8490
218147ARGHH8.3570
219147ARGCC178.1350
220147ARGCAC58.4950
221147ARGCBC29.5930
222147ARGNN118.4870
223148LEUHH7.5280
224148LEUCC177.9620
225148LEUCAC56.6890
226148LEUCBC41.5610
227148LEUNN117.7550
228149ALAHH7.5010
229149ALACC178.7640
230149ALACAC54.8250
231149ALACBC18.5020
232149ALANN120.4640
233150LYSHH7.3820
234150LYSCC179.5240
235150LYSCAC58.3670
236150LYSCBC32.4020
237150LYSNN116.0840
238151GLUHH7.8490
239151GLUCC177.7370
240151GLUCAC59.1240
241151GLUCBC29.6810
242151GLUNN119.2260
243152HISHH7.9550
244152HISCC173.7760
245152HISCAC55.140
246152HISCBC30.460
247152HISNN114.470
248153SERHH7.5550
249153SERCC173.5560
250153SERCAC58.4140
251153SERCBC61.3860
252153SERNN114.3390
253154ILEHH8.3450
254154ILECC176.1870
255154ILECAC58.8160
256154ILECBC35.6770
257154ILENN121.2280
258155VALHH8.1630
259155VALCC174.7070
260155VALCAC61.8180
261155VALCBC33.2030
262155VALNN122.6440
263156ALAHH7.7070
264156ALACC175.0560
265156ALACAC51.1930
266156ALACBC21.330
267156ALANN124.9220
268157ILEHH8.2170
269157ILECAC56.1780
270157ILECBC40.8660
271157ILENN119.5920
272158PROCC176.1750
273158PROCAC63.2040
274158PROCBC34.4170
275159THRHH8.1480
276159THRCC171.2220
277159THRCAC63.6720
278159THRCBC73.8060
279159THRNN114.5350
280160LEUHH9.4680
281160LEUCC174.0710
282160LEUCAC53.3370
283160LEUCBC45.1860
284160LEUNN130.3280
285161VALHH9.7420
286161VALCC175.5980
287161VALCAC60.6280
288161VALCBC35.1510
289161VALNN126.3520
290162ARGHH9.0660
291162ARGCC174.5110
292162ARGCAC55.4680
293162ARGCBC30.690
294162ARGNN127.9590
295163GLUHH8.2850
296163GLUCC175.2410
297163GLUCAC58.2780
298163GLUCBC31.7720
299163GLUNN127.8080
300164LEUHH7.6420
301164LEUCAC52.1530
302164LEUCBC46.2170
303164LEUNN115.250
304167PROCC175.5260
305167PROCAC61.40
306167PROCBC34.9750
307168ARGHH8.5990
308168ARGCC176.7940
309168ARGCAC56.6960
310168ARGCBC30.9460
311168ARGNN122.4260
312169ARGHH8.0330
313169ARGCC174.3910
314169ARGCAC54.3330
315169ARGCBC33.930
316169ARGNN122.2740
317170LYSHH8.6410
318170LYSCC175.5080
319170LYSCAC55.7370
320170LYSCBC34.7680
321170LYSNN123.1910
322171ILEHH9.2450
323171ILECC174.470
324171ILECAC60.4130
325171ILECBC39.7640
326171ILENN125.6890
327172ILEHH8.40
328172ILECC176.1180
329172ILECAC60.5350
330172ILECBC39.5070
331172ILENN125.7570
332173GLYHH7.9970
333173GLYCC171.7760
334173GLYCAC44.360
335173GLYNN112.2280
336174ASPHH7.9090
337174ASPCC176.4030
338174ASPCAC53.6160
339174ASPCBC40.6350
340174ASPNN116.2530
341175LEUHH8.2330
342175LEUCC175.9790
343175LEUCAC55.3230
344175LEUCBC38.6610
345175LEUNN122.5060
346176SERHH7.9970
347176SERCC174.6770
348176SERCAC59.8330
349176SERCBC63.5040
350176SERNN110.5010
351177ASPHH8.0770
352177ASPCC175.4220
353177ASPCAC52.5710
354177ASPCBC40.4250
355177ASPNN123.3610
356178LYSHH8.1810
357178LYSCC177.4140
358178LYSCAC60.2140
359178LYSCBC32.610
360178LYSNN125.8270
361179GLUHH8.2260
362179GLUCC178.8920
363179GLUCAC59.8270
364179GLUCBC28.7860
365179GLUNN117.0240
366180GLNHH7.6650
367180GLNCC179.2530
368180GLNCAC58.8940
369180GLNCBC28.580
370180GLNNN118.5450
371181VALHH7.680
372181VALCC177.3010
373181VALCAC66.7490
374181VALCBC31.4970
375181VALNN119.820
376182LEUHH8.4540
377182LEUCC179.2730
378182LEUCAC58.4560
379182LEUCBC41.1890
380182LEUNN118.840
381183ASPHH7.9670
382183ASPCC178.3040
383183ASPCAC57.4970
384183ASPCBC41.020
385183ASPNN117.8130
386184ALAHH7.4720
387184ALACC179.2440
388184ALACAC54.320
389184ALACBC18.640
390184ALANN120.0450
391185LEUHH7.8520
392185LEUCC178.510
393185LEUCAC55.7620
394185LEUCBC41.9220
395185LEUNN115.370
396186LYSHH7.8150
397186LYSCC177.0450
398186LYSCAC58.0970
399186LYSCBC32.7280
400186LYSNN120.1630
401187METHH8.0670
402187METCC176.1630
403187METCAC56.070
404187METCBC33.3040
405187METNN120.7010
406188ASPHH8.3110
407188ASPCC175.7790
408188ASPCAC55.0780
409188ASPCBC41.2820
410188ASPNN120.320
411189METHH8.0020
412189METCC175.230
413189METCAC55.6550
414189METCBC33.4230
415189METNN119.0060
416190GLUHH7.8630
417190GLUCAC58.2080
418190GLUCBC31.1060
419190GLUNN126.4860

Release date
2023-07-09
Citation
Predicting multiple conformations via sequence clustering and AlphaFold2
Wayment-Steele, H., Ojoawo, A.M., Otten, R., Apitz, J., Pitsawong, W., Homberger, M., Ovchinnikov, S., Colwell, L., Kern, D.
Nature (2023), 625, 832-839, PubMed 37956700 , DOI 10.1038/s41586-023-06832-9 ,
Entries sharing articles BMRB: 2 entries Detail
  BMRB: 31107 released on 2023-10-08
    Title Solution NMR structure of KaiB variant from Thermosynechococcus elongatus vestitus (KaiBTV-4)
  BMRB: 52018 released on 2023-07-09
    Title Backbone 1H, 13C, and 15N chemical shift assignments of the ground state and the fold-switched state of KaiB-RS
Related entities 1. KaiB-RS-3m, : 1 : 48 entities Detail
More details for 49 related entities
Experiments performed 6 experiments Detail
Chemical shift validation 3 contents Detail
Keywords Computational biology and bioinformatics, NMR spectroscopy, Protein folding, Protein structure predictions, Structural biology