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BMRB: 31136


31136
8VL3
Solution NMR structure of de novo designed protein F3 parent
Authors
McShan, A.C., Simma, M.K.
Assembly
De novo designed protein F3 parent
Entity
1. De novo designed protein F3 parent (polymer, Thiol state: not present), 114 monomers, 13298.30 Da Detail

DERKKELVAQ LKEEGFSERD IAEILGKISQ GYSLIELERL NNAIIIILRK ETEIIILVAK GEKKRILSLR GMSKKEIKKK LREAGLDEKE IEKVLRLLEK EGSHHWGSHH HHHH


Formula weight
13298.3 Da
Source organism
synthetic construct
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 95, 13C: 278, 15N: 95 assignments Detail
Download
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111ASPHH8.388
211ASPCC177.079
311ASPCAC54.903
411ASPCBC41.080
511ASPNN120.681
612GLUHH8.618
712GLUCC177.779
812GLUCAC58.575
912GLUCBC29.405
1012GLUNN121.889
1113ARGHH8.214
1213ARGCC177.848
1313ARGCAC57.550
1413ARGCBC29.766
1513ARGNN119.851
1614LYSHH7.964
1714LYSCC177.319
1814LYSCAC58.729
1914LYSCBC32.356
2014LYSNN120.471
2115LYSHH7.951
2215LYSCC178.715
2315LYSCAC58.882
2415LYSCBC32.552
2515LYSNN119.415
2616GLUHH8.169
2716GLUCC178.171
2816GLUCAC58.493
2916GLUCBC29.647
3016GLUNN120.857
3117LEUHH7.998
3217LEUCC178.268
3317LEUCAC58.372
3417LEUCBC41.727
3517LEUNN122.187
3618VALHH8.222
3718VALCC177.303
3818VALCAC67.698
3918VALCBC31.430
4018VALNN117.498
4119ALAHH7.536
4219ALACC180.710
4319ALACAC55.349
4419ALACBC18.104
4519ALANN120.046
46110GLNHH8.012
47110GLNCC178.574
48110GLNCAC59.031
49110GLNCBC28.567
50110GLNNN118.320
51111LEUHH8.419
52111LEUCC179.826
53111LEUCAC57.821
54111LEUCBC40.868
55111LEUNN117.893
56112LYSHH8.480
57112LYSCC176.588
58112LYSCAC60.043
59112LYSCBC32.201
60112LYSNN120.359
61113GLUHH7.993
62113GLUCC178.243
63113GLUCAC59.117
64113GLUCBC29.286
65113GLUNN121.252
66114GLUHH7.600
67114GLUCC176.553
68114GLUCAC55.630
69114GLUCBC29.240
70114GLUNN115.493
71115GLYHH7.689
72115GLYCC175.361
73115GLYCAC45.655
74115GLYNN104.944
75116PHEHH7.868
76116PHECC175.574
77116PHECAC59.087
78116PHECBC38.913
79116PHENN119.985
80117SERHH9.376
81117SERCC174.905
82117SERCAC57.135
83117SERCBC65.781
84117SERNN118.873
85118GLUHH8.956
86118GLUCAC59.784
87118GLUCBC29.144
88118GLUNN120.537
89119ARGCC178.505
90120ASPHH7.735
91120ASPCC178.841
92120ASPCAC57.558
93120ASPCBC41.099
94120ASPNN121.289
95121ILEHH8.421
96121ILECC177.248
97121ILECAC57.614
98121ILECBC38.142
99121ILENN119.866
100122ALAHH8.094
101122ALACC181.261
102122ALACAC55.370
103122ALACBC17.775
104122ALANN121.440
105123GLUHH7.765
106123GLUCC179.470
107123GLUCAC59.293
108123GLUCBC29.382
109123GLUNN119.250
110124ILEHH7.790
111124ILECC177.865
112124ILECAC65.056
113124ILECBC37.567
114124ILENN120.926
115125LEUHH8.824
116125LEUCC180.548
117125LEUCAC57.890
118125LEUCBC40.397
119125LEUNN119.510
120126GLYHH8.226
121126GLYCC176.609
122126GLYCAC46.880
123126GLYNN108.306
124127LYSHH7.531
125127LYSCC179.625
126127LYSCAC58.375
127127LYSCBC29.752
128127LYSNN120.628
129128ILEHH8.016
130128ILECC180.578
131128ILECAC64.216
132128ILECBC37.667
133128ILENN122.399
134129SERHH8.398
135129SERCC175.321
136129SERCAC61.491
137129SERCBC63.118
138129SERNN117.238
139130GLNHH7.565
140130GLNCC175.680
141130GLNCAC56.062
142130GLNCBC29.166
143130GLNNN119.138
144131GLYHH7.989
145131GLYCC174.872
146131GLYCAC45.289
147131GLYNN105.888
148132TYRHH7.887
149132TYRCC175.034
150132TYRCAC58.430
151132TYRCBC38.554
152132TYRNN119.561
153133SERHH8.882
154133SERCC173.806
155133SERCAC57.469
156133SERCBC64.893
157133SERNN116.017
158134LEUHH8.809
159134LEUCC175.796
160134LEUCAC56.078
161134LEUCBC42.029
162134LEUNN126.888
163135ILEHH8.899
164135ILECAC61.283
165135ILECBC38.118
166135ILENN125.779
167136GLUCC173.506
168137LEUHH8.640
169137LEUCC174.882
170137LEUCAC55.461
171137LEUCBC44.135
172137LEUNN126.253
173138GLUHH9.091
174138GLUCC174.070
175138GLUCAC54.909
176138GLUCBC33.383
177138GLUNN125.118
178139ARGHH8.727
179139ARGCC175.571
180139ARGCAC55.940
181139ARGCBC30.680
182139ARGNN125.401
183140LEUHH8.578
184140LEUCC175.863
185140LEUCAC53.347
186140LEUCBC42.240
187140LEUNN127.382
188141ASNHH8.919
189141ASNCC175.590
190141ASNCAC56.082
191141ASNCBC37.608
192141ASNNN120.501
193142ASNHH8.863
194142ASNCC173.699
195142ASNCAC53.547
196142ASNCBC39.080
197142ASNNN117.311
198143ALAHH7.660
199143ALACC175.549
200143ALACAC51.249
201143ALACBC21.911
202143ALANN120.228
203144ILEHH8.817
204144ILECC174.004
205144ILECAC60.201
206144ILECBC40.730
207144ILENN120.337
208145ILEHH8.776
209145ILECC174.276
210145ILECAC58.275
211145ILECBC40.723
212145ILENN123.812
213146ILEHH8.918
214146ILECC174.590
215146ILECAC60.001
216146ILECBC41.125
217146ILENN124.952
218147ILEHH8.691
219147ILECC174.787
220147ILECAC60.654
221147ILECBC39.610
222147ILENN125.208
223148LEUHH9.314
224148LEUCC175.481
225148LEUCAC53.352
226148LEUCBC45.633
227148LEUNN127.669
228149ARGHH8.969
229149ARGCC174.916
230149ARGCAC55.109
231149ARGCBC35.522
232149ARGNN119.900
233150LYSHH8.724
234150LYSCAC56.474
235150LYSCBC34.561
236150LYSNN128.523
237151GLUCC175.706
238152THRHH7.754
239152THRCC174.430
240152THRCAC62.104
241152THRCBC69.578
242152THRNN111.636
243153GLUHH8.386
244153GLUCC174.681
245153GLUCAC56.458
246153GLUCBC31.189
247153GLUNN123.692
248154ILEHH8.254
249154ILECC175.294
250154ILECAC59.769
251154ILECBC40.517
252154ILENN125.237
253155ILEHH9.027
254155ILECC174.454
255155ILECAC59.075
256155ILECBC41.211
257155ILENN126.317
258156ILEHH8.931
259156ILECC173.660
260156ILECAC58.988
261156ILECBC41.307
262156ILENN122.629
263157LEUHH9.288
264157LEUCC175.152
265157LEUCAC54.117
266157LEUCBC44.070
267157LEUNN128.911
268158VALHH8.950
269158VALCC174.404
270158VALCAC60.681
271158VALCBC34.069
272158VALNN123.618
273159ALAHH9.037
274159ALACC175.460
275159ALACAC50.744
276159ALACBC21.241
277159ALANN130.360
278160LYSHH8.491
279160LYSCC176.219
280160LYSCAC55.827
281160LYSCBC34.114
282160LYSNN124.838
283161GLYHH9.074
284161GLYCC174.910
285161GLYCAC47.076
286161GLYNN118.285
287162GLUHH9.047
288162GLUCAC57.099
289162GLUCBC29.549
290162GLUNN124.621
291163LYSCC175.108
292164LYSHH8.333
293164LYSCC175.996
294164LYSCAC55.173
295164LYSCBC34.589
296164LYSNN123.827
297165ARGHH8.788
298165ARGCC173.914
299165ARGCAC54.302
300165ARGCBC34.006
301165ARGNN122.514
302166ILEHH8.467
303166ILECC175.328
304166ILECAC60.638
305166ILECBC39.426
306166ILENN122.907
307167LEUHH9.314
308167LEUCC175.016
309167LEUCAC53.912
310167LEUCBC44.538
311167LEUNN128.283
312168SERHH8.479
313168SERCC175.495
314168SERCAC57.036
315168SERCBC63.110
316168SERNN117.619
317169LEUHH8.474
318169LEUCC177.404
319169LEUCAC55.433
320169LEUCBC41.706
321169LEUNN125.106
322170ARGHH8.227
323170ARGCC177.520
324170ARGCAC58.293
325170ARGCBC30.063
326170ARGNN121.932
327171GLYHH8.915
328171GLYCC174.260
329171GLYCAC45.822
330171GLYNN114.565
331172METHH7.857
332172METCC176.083
333172METCAC56.087
334172METCBC35.103
335172METNN119.194
336173SERHH8.670
337173SERCC174.848
338173SERCAC56.997
339173SERCBC65.306
340173SERNN118.969
341174LYSHH8.839
342174LYSCC178.291
343174LYSCAC60.776
344174LYSCBC31.987
345174LYSNN122.180
346175LYSHH8.172
347175LYSCC179.180
348175LYSCAC60.017
349175LYSCBC32.460
350175LYSNN117.322
351176GLUHH7.588
352176GLUCC178.778
353176GLUCAC59.115
354176GLUCBC30.014
355176GLUNN120.551
356177ILEHH8.416
357177ILECC177.794
358177ILECAC66.167
359177ILECBC37.928
360177ILENN120.686
361178LYSHH8.122
362178LYSCC177.984
363178LYSCAC61.513
364178LYSCBC32.214
365178LYSNN117.772
366179LYSHH7.453
367179LYSCC179.271
368179LYSCAC59.928
369179LYSCBC32.686
370179LYSNN117.941
371180LYSHH8.194
372180LYSCC179.945
373180LYSCAC58.355
374180LYSCBC32.150
375180LYSNN118.493
376181LEUHH8.515
377181LEUCAC57.686
378181LEUCBC41.457
379181LEUNN119.311
380182ARGCC181.592
381183GLUHH8.128
382183GLUCC177.833
383183GLUCAC59.271
384183GLUCBC29.390
385183GLUNN121.647
386184ALAHH7.448
387184ALACC175.968
388184ALACAC52.517
389184ALACBC18.292
390184ALANN118.912
391185GLYHH7.589
392185GLYCC174.996
393185GLYCAC44.824
394185GLYNN102.377
395186LEUHH7.529
396186LEUCC176.428
397186LEUCAC55.379
398186LEUCBC41.898
399186LEUNN121.078
400187ASPHH9.183
401187ASPCC176.638
402187ASPCAC52.300
403187ASPCBC41.597
404187ASPNN122.204
405188GLUHH8.437
406188GLUCC179.318
407188GLUCAC60.427
408188GLUCBC29.470
409188GLUNN116.510
410189LYSHH8.120
411189LYSCC180.074
412189LYSCAC59.046
413189LYSCBC31.793
414189LYSNN119.108
415190GLUHH8.414
416190GLUCC178.669
417190GLUCAC59.386
418190GLUCBC30.170
419190GLUNN122.093
420191ILEHH8.570
421191ILECC177.342
422191ILECAC66.668
423191ILECBC38.082
424191ILENN119.166
425192GLUHH7.661
426192GLUCC178.879
427192GLUCAC59.759
428192GLUCBC29.301
429192GLUNN118.074
430193LYSHH7.467
431193LYSCC179.066
432193LYSCAC59.752
433193LYSCBC32.173
434193LYSNN118.417
435194VALHH8.087
436194VALCC177.552
437194VALCAC67.275
438194VALCBC31.084
439194VALNN119.967
440195LEUHH8.496
441195LEUCC179.862
442195LEUCAC58.366
443195LEUCBC40.468
444195LEUNN118.619
445196ARGHH7.820
446196ARGCC179.495
447196ARGCAC59.288
448196ARGCBC29.950
449196ARGNN118.217
450197LEUHH7.723
451197LEUCC179.438
452197LEUCAC57.705
453197LEUCBC41.801
454197LEUNN120.306
455198LEUHH7.902
456198LEUCC178.636
457198LEUCAC56.853
458198LEUCBC41.712
459198LEUNN117.362
460199GLUHH7.741
461199GLUCC177.266
462199GLUCAC57.552
463199GLUCBC29.913
464199GLUNN118.277
4651100LYSHH7.538
4661100LYSCAC57.764
4671100LYSCBC32.692
4681100LYSNN119.746

Release date
2024-01-21
Citation
Solution NMR structure of de novo designed protein F3 parent
McShan, A.C., Simma, M.K.
Related entities 1. De novo designed protein F3 parent, : 1 entities Detail
More details for 1 related entities
Experiments performed 6 experiments Detail
Chemical shift validation 3 contents Detail
Keywords DE NOVO PROTEIN, de novo design, fold-switching, machine learning