Search

Backbone-modified variant of the B domain of Staphylococcal protein A: Aib residues in helix 2
Authors
Santhouse, J.R., Leung, J.M.G., Chong, L.T., Horne, W.S.
Assembly
Immunoglobulin G binding protein A
Entity
1. Immunoglobulin G binding protein A (polymer, Thiol state: not present), 59 monomers, 6451.107 Da Detail

ADNKFNKEQQ NAFYEILHLP NLNEXQRXAF IXSLXDDPSQ SANLLAEAKK LNDAQAPKX


Formula weight
6451.107 Da
Source organism
Staphylococcus aureus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 418 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111ALAHAH4.1250.0001
211ALAHB1H1.5480.0001
311ALAHB2H1.5480.0001
411ALAHB3H1.5480.0001
512ASPHH8.6800.0001
612ASPHAH4.6660.0001
712ASPHB2H2.7340.0012
812ASPHB3H2.6210.0052
913ASNHH8.4710.0001
1013ASNHAH4.6510.0001
1113ASNHB2H2.7420.0001
1213ASNHB3H2.7420.0001
1313ASNHD21H6.8640.0002
1413ASNHD22H7.5760.0002
1514LYSHH8.2230.0001
1614LYSHAH4.2000.0021
1714LYSHB2H1.7280.0002
1814LYSHB3H1.6720.0002
1914LYSHG2H1.2670.0001
2014LYSHG3H1.2670.0001
2114LYSHD2H1.6180.0001
2214LYSHD3H1.6180.0001
2314LYSHE2H2.9630.0001
2414LYSHE3H2.9630.0001
2515PHEHH8.2140.0001
2615PHEHAH4.9340.0001
2715PHEHB2H3.3210.0002
2815PHEHB3H2.9880.0002
2915PHEHD1H7.1940.0001
3015PHEHD2H7.1940.0001
3115PHEHE1H7.0650.0001
3215PHEHE2H7.0650.0001
3315PHEHZH6.9920.0001
3416ASNHH8.3450.0001
3516ASNHAH4.7550.0041
3616ASNHB2H3.2270.0012
3716ASNHB3H2.9570.0012
3816ASNHD21H6.9520.0002
3916ASNHD22H7.5390.0002
4017LYSHH8.3830.0001
4117LYSHAH3.9820.0031
4217LYSHB2H1.8700.0002
4317LYSHB3H1.8330.0022
4417LYSHG2H1.5110.0002
4517LYSHG3H1.4560.0002
4617LYSHD2H1.7170.0011
4717LYSHD3H1.7170.0011
4817LYSHE2H3.0240.0021
4917LYSHE3H3.0240.0021
5018GLUHH8.3420.0001
5118GLUHAH4.1140.0011
5218GLUHB2H2.1250.0002
5318GLUHB3H2.0720.0002
5418GLUHG2H2.3430.0001
5518GLUHG3H2.3430.0001
5619GLNHH8.3860.0001
5719GLNHAH3.9130.0021
5819GLNHB2H2.1600.0002
5919GLNHB3H1.5150.0002
6019GLNHG2H2.3730.0001
6119GLNHG3H2.3730.0001
6219GLNHE21H6.8110.0002
6319GLNHE22H7.3110.0002
64110GLNHH8.4540.0001
65110GLNHAH3.9770.0001
66110GLNHB2H2.1630.0001
67110GLNHB3H2.1630.0001
68110GLNHG2H2.3560.0001
69110GLNHG3H2.3560.0001
70110GLNHE21H6.8090.0002
71110GLNHE22H7.5540.0002
72111ASNHH8.3550.0001
73111ASNHAH4.6000.0001
74111ASNHB2H2.9160.0021
75111ASNHB3H2.9160.0021
76111ASNHD21H6.9880.0002
77111ASNHD22H7.7430.0002
78112ALAHH8.0220.0001
79112ALAHAH4.0880.0011
80112ALAHB1H1.4580.0001
81112ALAHB2H1.4580.0001
82112ALAHB3H1.4580.0001
83113PHEHH8.0520.0001
84113PHEHAH3.8620.0001
85113PHEHB2H3.1700.0002
86113PHEHB3H3.0650.0022
87113PHEHD1H7.0170.0011
88113PHEHD2H7.0170.0011
89113PHEHE1H7.0660.0001
90113PHEHE2H7.0660.0001
91114TYRHH8.0420.0001
92114TYRHAH3.9130.0001
93114TYRHB2H3.1650.0001
94114TYRHB3H3.1650.0001
95114TYRHD1H7.0790.0001
96114TYRHD2H7.0790.0001
97114TYRHE1H6.6620.0001
98114TYRHE2H6.6620.0001
99115GLUHH8.6590.0001
100115GLUHAH4.0180.0011
101115GLUHB2H2.1640.0002
102115GLUHB3H2.0060.0002
103115GLUHG2H2.4690.0012
104115GLUHG3H2.2750.0012
105116ILEHH8.3270.0001
106116ILEHAH3.4090.0011
107116ILEHBH1.8080.0011
108116ILEHG12H1.8120.0001
109116ILEHG13H1.8120.0001
110116ILEHG21H0.7680.0011
111116ILEHG22H0.7680.0011
112116ILEHG23H0.7680.0011
113116ILEHD11H0.5320.0001
114116ILEHD12H0.5320.0001
115116ILEHD13H0.5320.0001
116117LEUHH7.6670.0001
117117LEUHAH3.7790.0011
118117LEUHB2H1.5700.0002
119117LEUHB3H1.2250.0002
120117LEUHGH1.5700.0021
121117LEUHD11H0.6020.0002
122117LEUHD12H0.6020.0002
123117LEUHD13H0.6020.0002
124117LEUHD21H0.6730.0002
125117LEUHD22H0.6730.0002
126117LEUHD23H0.6730.0002
127118HISHH7.4160.0001
128118HISHAH4.5160.0011
129118HISHB2H3.4170.0012
130118HISHB3H2.7970.0002
131118HISHD2H7.1120.0001
132118HISHE1H8.3330.0001
133119LEUHH7.3230.0001
134119LEUHAH4.4830.0021
135119LEUHB2H1.7110.0032
136119LEUHB3H1.3910.0022
137119LEUHGH2.1880.0021
138119LEUHD11H0.6810.0002
139119LEUHD12H0.6810.0002
140119LEUHD13H0.6810.0002
141119LEUHD21H0.8760.0002
142119LEUHD22H0.8760.0002
143119LEUHD23H0.8760.0002
144120PROHAH4.4120.0011
145120PROHB2H2.3340.0002
146120PROHB3H1.9980.0002
147120PROHG2H2.1810.0001
148120PROHG3H2.1810.0001
149120PROHD2H4.0400.0002
150120PROHD3H3.8130.0002
151121ASNHH8.9130.0001
152121ASNHAH5.0210.0001
153121ASNHB2H2.9110.0001
154121ASNHB3H2.9110.0001
155121ASNHD21H7.0040.0002
156121ASNHD22H7.4100.0002
157122LEUHH6.5380.0001
158122LEUHAH4.4410.0011
159122LEUHB2H1.6930.0002
160122LEUHB3H1.6380.0002
161122LEUHGH1.7020.0021
162122LEUHD11H0.8820.0002
163122LEUHD12H0.8820.0002
164122LEUHD13H0.8820.0002
165122LEUHD21H0.9680.0012
166122LEUHD22H0.9680.0012
167122LEUHD23H0.9680.0012
168123ASNHH8.6020.0001
169123ASNHAH4.9330.0001
170123ASNHB2H3.2150.0012
171123ASNHB3H2.8490.0022
172123ASNHD21H6.8750.0002
173123ASNHD22H7.4220.0002
174124GLUHH8.6170.0011
175124GLUHAH3.9110.0021
176124GLUHB2H2.0650.0002
177124GLUHB3H2.0290.0002
178124GLUHG2H2.4000.0001
179124GLUHG3H2.4000.0001
180125AIBHH8.1820.0001
181125AIBHB11H1.4490.0002
182125AIBHB12H1.4490.0002
183125AIBHB13H1.4490.0002
184125AIBHB21H1.4770.0002
185125AIBHB22H1.4770.0002
186125AIBHB23H1.4770.0002
187126GLNHH8.3880.0001
188126GLNHAH3.9650.0011
189126GLNHB2H2.3520.0002
190126GLNHB3H1.8290.0002
191126GLNHG2H2.4990.0021
192126GLNHG3H2.4990.0021
193126GLNHE21H7.5600.0002
194126GLNHE22H8.2360.0002
195127ARGHH8.3880.0001
196127ARGHAH3.7280.0021
197127ARGHB2H1.8910.0002
198127ARGHB3H1.8060.0002
199127ARGHG2H1.7090.0002
200127ARGHG3H1.5080.0002
201127ARGHD2H3.3810.0002
202127ARGHD3H3.1780.0002
203128AIBHH8.2200.0001
204128AIBHB11H1.6740.0001
205128AIBHB12H1.6740.0001
206128AIBHB13H1.6740.0001
207129ALAHH8.0470.0001
208129ALAHAH4.2260.0021
209129ALAHB1H1.4580.0001
210129ALAHB2H1.4580.0001
211129ALAHB3H1.4580.0001
212130PHEHH8.0500.0001
213130PHEHAH4.3350.0021
214130PHEHB2H3.0650.0002
215130PHEHB3H2.9700.0002
216130PHEHD1H7.2920.0001
217130PHEHD2H7.2920.0001
218130PHEHE1H7.1200.0011
219130PHEHE2H7.1200.0011
220130PHEHZH7.2930.0001
221131ILEHH7.8960.0001
222131ILEHAH3.6880.0021
223131ILEHBH2.1940.0011
224131ILEHG12H1.5160.0002
225131ILEHG13H1.3900.0012
226131ILEHG21H0.8810.0001
227131ILEHG22H0.8810.0001
228131ILEHG23H0.8810.0001
229131ILEHD11H0.7670.0001
230131ILEHD12H0.7670.0001
231131ILEHD13H0.7670.0001
232132AIBHH8.0460.0001
233132AIBHB11H1.4590.0002
234132AIBHB12H1.4590.0002
235132AIBHB13H1.4590.0002
236132AIBHB21H1.5700.0002
237132AIBHB22H1.5700.0002
238132AIBHB23H1.5700.0002
239133SERHH7.7070.0011
240133SERHAH4.1810.0021
241133SERHB2H4.0520.0002
242133SERHB3H3.9250.0012
243134LEUHH8.0290.0001
244134LEUHAH3.7140.0021
245134LEUHB2H1.7260.0022
246134LEUHB3H1.5190.0002
247134LEUHGH1.6210.0031
248134LEUHD11H0.7680.0021
249134LEUHD12H0.7680.0021
250134LEUHD13H0.7680.0021
251134LEUHD21H0.7680.0021
252134LEUHD22H0.7680.0021
253134LEUHD23H0.7680.0021
254135AIBHH8.1110.0011
255135AIBHB11H1.4300.0002
256135AIBHB12H1.4300.0002
257135AIBHB13H1.4300.0002
258135AIBHB21H1.4640.0002
259135AIBHB22H1.4640.0002
260135AIBHB23H1.4640.0002
261136ASPHH7.5040.0001
262136ASPHAH4.5180.0021
263136ASPHB2H2.8610.0002
264136ASPHB3H2.8130.0002
265137ASPHH7.5540.0001
266137ASPHAH4.9560.0031
267137ASPHB2H2.9990.0032
268137ASPHB3H2.6670.0022
269138PROHAH4.4580.0001
270138PROHB2H2.2250.0002
271138PROHB3H2.0580.0002
272138PROHG2H2.1600.0021
273138PROHG3H2.1600.0021
274138PROHD2H3.9180.0012
275138PROHD3H3.7660.0012
276139SERHH8.2370.0001
277139SERHAH4.4150.0001
278139SERHB2H4.0900.0012
279139SERHB3H4.0270.0002
280140GLNHH7.9130.0001
281140GLNHAH4.6690.0011
282140GLNHB2H2.6710.0012
283140GLNHB3H2.0010.0002
284140GLNHG2H2.4830.0002
285140GLNHG3H2.3440.0002
286140GLNHE21H6.8640.0002
287140GLNHE22H7.5910.0002
288141SERHH7.7720.0011
289141SERHAH3.7810.0011
290141SERHB2H3.9620.0032
291141SERHB3H3.8330.0012
292142ALAHH8.4790.0001
293142ALAHAH4.1420.0001
294142ALAHB1H1.4520.0001
295142ALAHB2H1.4520.0001
296142ALAHB3H1.4520.0001
297143ASNHH7.9730.0001
298143ASNHAH4.5500.0021
299143ASNHB2H2.9120.0011
300143ASNHB3H2.9120.0011
301143ASNHD21H7.0020.0002
302143ASNHD22H7.7850.0002
303144LEUHH8.5810.0001
304144LEUHAH4.1980.0031
305144LEUHB2H1.8410.0002
306144LEUHB3H1.3300.0002
307144LEUHGH1.8790.0031
308144LEUHD11H0.8410.0012
309144LEUHD12H0.8410.0012
310144LEUHD13H0.8410.0012
311144LEUHD21H1.0980.0002
312144LEUHD22H1.0980.0002
313144LEUHD23H1.0980.0002
314145LEUHH8.4830.0001
315145LEUHAH3.8330.0011
316145LEUHB2H1.8640.0002
317145LEUHB3H1.5280.0002
318145LEUHGH1.5720.0031
319145LEUHD11H0.9020.0001
320145LEUHD12H0.9020.0001
321145LEUHD13H0.9020.0001
322145LEUHD21H0.9020.0001
323145LEUHD22H0.9020.0001
324145LEUHD23H0.9020.0001
325146ALAHH7.7080.0001
326146ALAHAH4.0660.0011
327146ALAHB1H1.5710.0001
328146ALAHB2H1.5710.0001
329146ALAHB3H1.5710.0001
330147GLUHH8.0480.0001
331147GLUHAH4.0750.0011
332147GLUHB2H2.3560.0002
333147GLUHB3H2.2800.0002
334147GLUHG2H2.6020.0002
335147GLUHG3H2.5410.0002
336148ALAHH8.4760.0001
337148ALAHAH3.5100.0011
338148ALAHB1H0.5170.0001
339148ALAHB2H0.5170.0001
340148ALAHB3H0.5170.0001
341149LYSHH8.5420.0001
342149LYSHAH3.7820.0001
343149LYSHB2H1.9630.0002
344149LYSHB3H1.8100.0022
345149LYSHG2H1.3620.0021
346149LYSHG3H1.3620.0021
347149LYSHD2H1.6260.0011
348149LYSHD3H1.6260.0011
349149LYSHE2H2.9680.0002
350149LYSHE3H2.8790.0012
351150LYSHH7.7210.0001
352150LYSHAH4.1340.0001
353150LYSHB2H1.9780.0021
354150LYSHB3H1.9780.0021
355150LYSHG2H1.4530.0001
356150LYSHG3H1.4530.0001
357150LYSHD2H1.7480.0011
358150LYSHD3H1.7480.0011
359150LYSHE2H2.9970.0001
360150LYSHE3H2.9970.0001
361151LEUHH7.9410.0001
362151LEUHAH4.1660.0001
363151LEUHB2H1.7230.0001
364151LEUHB3H1.7230.0001
365151LEUHGH1.6160.0011
366151LEUHD11H1.0160.0001
367151LEUHD12H1.0160.0001
368151LEUHD13H1.0160.0001
369151LEUHD21H1.0160.0001
370151LEUHD22H1.0160.0001
371151LEUHD23H1.0160.0001
372152ASNHH8.5840.0001
373152ASNHAH3.9620.0011
374152ASNHB2H3.1350.0002
375152ASNHB3H2.4070.0002
376152ASNHD21H6.8720.0002
377152ASNHD22H7.9290.0002
378153ASPHH8.3040.0001
379153ASPHAH4.4780.0021
380153ASPHB2H2.7880.0002
381153ASPHB3H2.7440.0002
382154ALAHH8.0410.0001
383154ALAHAH4.2750.0011
384154ALAHB1H1.6170.0001
385154ALAHB2H1.6170.0001
386154ALAHB3H1.6170.0001
387155GLNHH7.5660.0011
388155GLNHAH4.4040.0011
389155GLNHB2H2.3430.0002
390155GLNHB3H1.8310.0002
391155GLNHG2H2.6550.0012
392155GLNHG3H2.5020.0002
393155GLNHE21H7.2890.0002
394155GLNHE22H8.7100.0002
395156ALAHH7.1570.0001
396156ALAHAH4.3690.0001
397156ALAHB1H1.4650.0001
398156ALAHB2H1.4650.0001
399156ALAHB3H1.4650.0001
400157PROHAH4.4580.0011
401157PROHB2H2.3490.0002
402157PROHB3H1.9560.0032
403157PROHG2H2.1180.0001
404157PROHG3H2.1180.0001
405157PROHD2H3.8260.0002
406157PROHD3H3.6560.0012
407158LYSHH8.4890.0001
408158LYSHAH4.3350.0001
409158LYSHB2H1.9030.0002
410158LYSHB3H1.7930.0002
411158LYSHG2H1.5530.0002
412158LYSHG3H1.4960.0002
413158LYSHD2H1.7260.0001
414158LYSHD3H1.7260.0001
415158LYSHE2H3.0720.0021
416158LYSHE3H3.0720.0021
417159NH2HN1H7.1080.0002
418159NH2HN2H7.5890.0002

Release date
2022-02-02
Citation
Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics
Santhouse, J.R., Leung, J.M.G., Chong, L.T., Horne, W.S.
Chem. Sci. (2022), 13, 11798-11806, PubMed 36320921 , DOI 10.1039/d2sc04427g ,
Entries sharing articles BMRB: 4 entries Detail
  BMRB: 30980 released on 2022-02-02
    Title B Domain of Staphylococcal protein A: Native backbone
  BMRB: 30981 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 2
  BMRB: 30983 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 3
  BMRB: 30984 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: Aib residues in helix 3
Related entities 1. Immunoglobulin G binding protein A, : 2 : 109 : 76 entities Detail
Interaction partners 1. Immunoglobulin G binding protein A, : 1 interactors Detail
Experiments performed 3 experiments Detail
Chemical shift validation 3 contents Detail
Keywords DE NOVO PROTEIN