Search

Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-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, 6666.312 Da Detail

ADNKFNKEQQ NAFYEILHLP NLNEXQRXAF IXSLXDDPSQ SANLLAEAKK LNDAQAPKX


Formula weight
6666.312 Da
Source organism
Staphylococcus aureus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 428 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111ALAHAH4.0880.0011
211ALAHB1H1.5210.0001
311ALAHB2H1.5210.0001
411ALAHB3H1.5210.0001
512ASPHH8.7890.0011
612ASPHAH4.6250.0001
712ASPHB2H2.5810.0022
812ASPHB3H2.7030.0022
913ASNHH8.5820.0011
1013ASNHAH4.6270.0001
1113ASNHB2H2.6680.0001
1213ASNHB3H2.6680.0001
1313ASNHD21H6.9710.0002
1413ASNHD22H7.6640.0002
1514LYSHH8.4370.0011
1614LYSHAH4.1910.0021
1714LYSHB2H1.6740.0002
1814LYSHB3H1.7260.0002
1914LYSHG2H1.2790.0031
2014LYSHG3H1.2790.0031
2114LYSHD2H1.6210.0041
2214LYSHD3H1.6210.0041
2314LYSHE2H2.9500.0021
2414LYSHE3H2.9500.0021
2515PHEHH8.3350.0041
2615PHEHAH4.9700.0001
2715PHEHB2H3.0350.0032
2815PHEHB3H3.3630.0022
2915PHEHD1H7.1810.0001
3015PHEHD2H7.1810.0001
3115PHEHE1H7.0980.0021
3215PHEHE2H7.0980.0021
3315PHEHZH7.0410.0011
3416ASNHH8.3490.0011
3516ASNHAH4.7020.0001
3616ASNHB2H2.9230.0002
3716ASNHB3H3.2110.0042
3816ASNHD21H7.0120.0002
3916ASNHD22H7.6170.0002
4017LYSHH8.4640.0001
4117LYSHAH3.9920.0011
4217LYSHB2H1.8230.0002
4317LYSHB3H1.8770.0002
4417LYSHG2H1.4190.0002
4517LYSHG3H1.5150.0002
4617LYSHD2H1.7120.0051
4717LYSHD3H1.7120.0051
4817LYSHE2H3.0080.0011
4917LYSHE3H3.0080.0011
5018GLUHH8.4100.0001
5118GLUHAH4.1140.0011
5218GLUHB2H2.0740.0012
5318GLUHB3H2.1430.0012
5418GLUHG2H2.3700.0001
5518GLUHG3H2.3700.0001
5619GLNHH8.5660.0001
5719GLNHAH3.9310.0031
5819GLNHB2H2.1130.0002
5919GLNHB3H2.3790.0002
6019GLNHG2H2.4920.0001
6119GLNHG3H2.4920.0001
6219GLNHE21H6.9790.0002
6319GLNHE22H7.4150.0002
64110GLNHH8.5980.0001
65110GLNHAH4.0480.0031
66110GLNHB2H2.2150.0001
67110GLNHB3H2.2150.0001
68110GLNHG2H2.4820.0001
69110GLNHG3H2.4820.0001
70110GLNHE21H7.0670.0002
71110GLNHE22H7.4140.0002
72111ASNHH8.3770.0011
73111ASNHAH4.6260.0011
74111ASNHB2H2.9100.0021
75111ASNHB3H2.9100.0021
76111ASNHD21H7.1540.0002
77111ASNHD22H7.8510.0002
78112ALAHH8.0640.0001
79112ALAHAH4.0980.0011
80112ALAHB1H1.4980.0001
81112ALAHB2H1.4980.0001
82112ALAHB3H1.4980.0001
83113PHEHH8.3220.0001
84113PHEHAH3.9030.0001
85113PHEHB2H3.0710.0002
86113PHEHB3H3.3330.0002
87113PHEHD1H7.0760.0001
88113PHEHD2H7.0760.0001
89113PHEHE1H7.3720.0001
90113PHEHE2H7.3720.0001
91114TYRHH8.2810.0001
92114TYRHAH3.7630.0011
93114TYRHB2H3.1990.0001
94114TYRHB3H3.1990.0001
95114TYRHD1H7.1310.0001
96114TYRHD2H7.1310.0001
97114TYRHE1H6.7460.0001
98114TYRHE2H6.7460.0001
99115GLUHH8.5190.0001
100115GLUHAH4.0060.0011
101115GLUHB2H1.9940.0002
102115GLUHB3H2.1450.0002
103115GLUHG2H2.2200.0012
104115GLUHG3H2.5260.0002
105116ILEHH8.6030.0001
106116ILEHAH3.3660.0031
107116ILEHBH1.7240.0011
108116ILEHG12H1.9670.0001
109116ILEHG13H1.9670.0001
110116ILEHG21H0.7170.0011
111116ILEHG22H0.7170.0011
112116ILEHG23H0.7170.0011
113116ILEHD11H0.5630.0011
114116ILEHD12H0.5630.0011
115116ILEHD13H0.5630.0011
116117LEUHH8.2110.0001
117117LEUHAH3.6540.0011
118117LEUHB2H1.0480.0022
119117LEUHB3H1.2550.0022
120117LEUHGH1.0320.0001
121117LEUHD11H0.4790.0012
122117LEUHD12H0.4790.0012
123117LEUHD13H0.4790.0012
124117LEUHD21H0.6090.0002
125117LEUHD22H0.6090.0002
126117LEUHD23H0.6090.0002
127118HISHH7.0770.0011
128118HISHAH4.4720.0011
129118HISHB2H2.7750.0022
130118HISHB3H3.4450.0012
131118HISHD2H6.9620.0001
132118HISHE1H8.2880.0001
133119LEUHH7.1410.0001
134119LEUHAH4.4930.0011
135119LEUHB2H1.3730.0002
136119LEUHB3H1.6240.0002
137119LEUHGH2.2020.0031
138119LEUHD11H0.6580.0022
139119LEUHD12H0.6580.0022
140119LEUHD13H0.6580.0022
141119LEUHD21H0.8520.0012
142119LEUHD22H0.8520.0012
143119LEUHD23H0.8520.0012
144120PROHAH4.4490.0031
145120PROHB2H1.9840.0002
146120PROHB3H2.3090.0002
147120PROHG2H2.1820.0011
148120PROHG3H2.1820.0011
149120PROHD2H3.8130.0012
150120PROHD3H4.0780.0002
151121ASNHH8.9930.0001
152121ASNHAH5.0020.0001
153121ASNHB2H2.9030.0001
154121ASNHB3H2.9030.0001
155121ASNHD21H7.0080.0002
156121ASNHD22H7.5870.0002
157122LEUHH6.5020.0021
158122LEUHAH4.3850.0021
159122LEUHB2H1.5340.0012
160122LEUHB3H1.6280.0002
161122LEUHGH1.6280.0031
162122LEUHD11H0.8430.0002
163122LEUHD12H0.8430.0002
164122LEUHD13H0.8430.0002
165122LEUHD21H0.9030.0012
166122LEUHD22H0.9030.0012
167122LEUHD23H0.9030.0012
168123ASNHH8.5910.0001
169123ASNHAH4.9500.0011
170123ASNHB2H2.7710.0002
171123ASNHB3H3.2130.0012
172123ASNHD21H7.1790.0002
173123ASNHD22H7.8350.0002
174124GLUHH8.6620.0001
175124GLUHAH4.0590.0011
176124GLUHB2H1.9690.0001
177124GLUHB3H1.9690.0001
178124GLUHG2H2.4970.0001
179124GLUHG3H2.4970.0001
180125B3EHH7.7390.0011
181125B3EHA1H2.3310.0002
182125B3EHA2H2.6220.0002
183125B3EHBH4.3460.0011
184125B3EHD2H1.9770.0002
185125B3EHD3H2.2370.0002
186125B3EHG2H1.7470.0002
187125B3EHG3H1.9170.0002
188126GLNHH8.5980.0001
189126GLNHAH3.8550.0011
190126GLNHB2H2.0030.0002
191126GLNHB3H2.6820.0002
192126GLNHG2H2.5870.0001
193126GLNHG3H2.5870.0001
194126GLNHE21H8.4380.0002
195126GLNHE22H7.7740.0002
196127ARGHH8.7010.0001
197127ARGHAH3.7200.0021
198127ARGHB2H1.7470.0002
199127ARGHB3H1.8130.0002
200127ARGHG2H1.3640.0002
201127ARGHG3H1.6340.0002
202127ARGHD2H3.1800.0002
203127ARGHD3H3.5000.0002
204128B3XHH7.5840.0001
205128B3XHA1H2.4340.0002
206128B3XHA2H2.3110.0002
207128B3XHBH4.5710.0021
208128B3XHE21H6.6500.0002
209128B3XHE22H7.6770.0002
210128B3XHG2H2.4830.0002
211128B3XHG3H2.7710.0002
212129ALAHH8.1770.0001
213129ALAHAH3.9330.0011
214129ALAHB1H1.2830.0001
215129ALAHB2H1.2830.0001
216129ALAHB3H1.2830.0001
217130PHEHH8.3600.0001
218130PHEHAH4.4060.0021
219130PHEHB2H2.9310.0002
220130PHEHB3H3.3560.0012
221130PHEHD1H7.3100.0001
222130PHEHD2H7.3100.0001
223130PHEHE1H7.0930.0001
224130PHEHE2H7.0930.0001
225130PHEHZH7.3110.0001
226131ILEHH8.5950.0001
227131ILEHAH3.7870.0001
228131ILEHBH2.0380.0031
229131ILEHG12H1.7870.0001
230131ILEHG13H1.7870.0001
231131ILEHG21H1.0960.0031
232131ILEHG22H1.0960.0031
233131ILEHG23H1.0960.0031
234131ILEHD11H0.7270.0011
235131ILEHD12H0.7270.0011
236131ILEHD13H0.7270.0011
237132B3QH8H2.4810.0001
238132B3QHAH2.3870.0012
239132B3QHAAH2.5380.0032
240132B3QHBH4.2680.0011
241132B3QHGH1.9080.0002
242132B3QHGAH2.0270.0002
243132B3QHNH8.1940.0001
244133SERHH8.0530.0011
245133SERHAH4.0060.0001
246133SERHB2H4.1620.0001
247133SERHB3H4.1620.0001
248134LEUHH8.3440.0001
249134LEUHAH3.8320.0011
250134LEUHB2H1.7190.0012
251134LEUHB3H1.7750.0002
252134LEUHGH1.7800.0021
253134LEUHD11H0.9140.0021
254134LEUHD12H0.9140.0021
255134LEUHD13H0.9140.0021
256134LEUHD21H0.9140.0021
257134LEUHD22H0.9140.0021
258134LEUHD23H0.9140.0021
259135B3KHH7.6030.0001
260135B3KHA1H2.3540.0012
261135B3KHA2H2.4780.0012
262135B3KHBH4.1110.0021
263135B3KHD2H1.4380.0001
264135B3KHE2H1.7170.0001
265135B3KHF1H2.9620.0001
266135B3KHG2H1.6140.0002
267135B3KHG3H1.7180.0002
268136ASPHH8.2330.0001
269136ASPHAH4.2580.0001
270136ASPHB2H2.8710.0012
271136ASPHB3H2.7110.0002
272137ASPHH8.2200.0031
273137ASPHAH4.9840.0011
274137ASPHB2H2.6370.0022
275137ASPHB3H3.0020.0012
276138PROHAH4.5190.0001
277138PROHB2H1.9650.0002
278138PROHB3H2.3330.0012
279138PROHG2H2.1130.0032
280138PROHG3H2.2780.0002
281138PROHD2H3.7280.0012
282138PROHD3H3.9120.0002
283139SERHH8.2170.0001
284139SERHAH4.3050.0011
285139SERHB2H3.9480.0012
286139SERHB3H4.0500.0012
287140GLNHH7.7930.0001
288140GLNHAH4.6430.0021
289140GLNHB2H2.0230.0022
290140GLNHB3H2.6730.0002
291140GLNHG2H2.3280.0002
292140GLNHG3H2.4690.0002
293140GLNHE21H7.0050.0002
294140GLNHE22H7.7180.0002
295141SERHH7.7710.0001
296141SERHAH3.7380.0001
297141SERHB2H3.7720.0002
298141SERHB3H4.0110.0012
299142ALAHH8.6120.0001
300142ALAHAH4.1440.0011
301142ALAHB1H1.4290.0001
302142ALAHB2H1.4290.0001
303142ALAHB3H1.4290.0001
304143ASNHH8.0660.0001
305143ASNHAH4.5470.0011
306143ASNHB2H2.9040.0001
307143ASNHB3H2.9040.0001
308143ASNHD21H7.0600.0002
309143ASNHD22H7.8740.0002
310144LEUHH8.6530.0001
311144LEUHAH4.2120.0011
312144LEUHB2H1.4320.0002
313144LEUHB3H1.8170.0002
314144LEUHGH1.8780.0021
315144LEUHD11H0.8340.0002
316144LEUHD12H0.8340.0002
317144LEUHD13H0.8340.0002
318144LEUHD21H1.1140.0012
319144LEUHD22H1.1140.0012
320144LEUHD23H1.1140.0012
321145LEUHH8.5270.0001
322145LEUHAH3.8520.0011
323145LEUHB2H1.4520.0062
324145LEUHB3H2.0620.0032
325145LEUHGH1.5360.0011
326145LEUHD11H0.9130.0021
327145LEUHD12H0.9130.0021
328145LEUHD13H0.9130.0021
329145LEUHD21H0.9130.0021
330145LEUHD22H0.9130.0021
331145LEUHD23H0.9130.0021
332146ALAHH7.6680.0001
333146ALAHAH4.0510.0011
334146ALAHB1H1.5500.0001
335146ALAHB2H1.5500.0001
336146ALAHB3H1.5500.0001
337147GLUHH8.1660.0001
338147GLUHAH4.0690.0021
339147GLUHB2H2.2990.0002
340147GLUHB3H2.3630.0002
341147GLUHG2H2.5160.0002
342147GLUHG3H2.6070.0012
343148ALAHH8.7050.0001
344148ALAHAH3.5370.0001
345148ALAHB1H0.5220.0001
346148ALAHB2H0.5220.0001
347148ALAHB3H0.5220.0001
348149LYSHH8.6190.0001
349149LYSHAH3.7700.0021
350149LYSHB2H1.7590.0002
351149LYSHB3H1.9690.0002
352149LYSHG2H1.3380.0011
353149LYSHG3H1.3380.0011
354149LYSHD2H1.6720.0031
355149LYSHD3H1.6720.0031
356149LYSHE2H2.8370.0002
357149LYSHE3H2.9470.0002
358150LYSHH7.6620.0001
359150LYSHAH4.1260.0021
360150LYSHB2H1.9580.0011
361150LYSHB3H1.9580.0011
362150LYSHG2H1.4230.0001
363150LYSHG3H1.4230.0001
364150LYSHD2H1.6230.0002
365150LYSHD3H1.7320.0002
366150LYSHE2H2.9740.0001
367150LYSHE3H2.9740.0001
368151LEUHH7.9310.0001
369151LEUHAH4.1810.0001
370151LEUHB2H1.6980.0032
371151LEUHB3H1.7940.0002
372151LEUHGH1.5870.0001
373151LEUHD11H0.9960.0021
374151LEUHD12H0.9960.0021
375151LEUHD13H0.9960.0021
376151LEUHD21H0.9960.0021
377151LEUHD22H0.9960.0021
378151LEUHD23H0.9960.0021
379152ASNHH8.6660.0001
380152ASNHAH3.9410.0011
381152ASNHB2H2.3810.0012
382152ASNHB3H3.1090.0012
383152ASNHD21H6.9740.0002
384152ASNHD22H8.0050.0002
385153ASPHH8.3130.0011
386153ASPHAH4.4690.0001
387153ASPHB2H2.7240.0002
388153ASPHB3H2.7760.0002
389154ALAHH8.0490.0001
390154ALAHAH4.2560.0011
391154ALAHB1H1.6060.0001
392154ALAHB2H1.6060.0001
393154ALAHB3H1.6060.0001
394155GLNHH7.5850.0001
395155GLNHAH4.3980.0021
396155GLNHB2H1.7820.0002
397155GLNHB3H2.2150.1902
398155GLNHG2H2.4990.0002
399155GLNHG3H2.6480.0002
400155GLNHE21H7.3680.0002
401155GLNHE22H8.8320.0002
402156ALAHH7.1450.0001
403156ALAHAH4.3470.0011
404156ALAHB1H1.4470.0001
405156ALAHB2H1.4470.0001
406156ALAHB3H1.4470.0001
407157PROHAH4.4330.0001
408157PROHB2H1.9290.0002
409157PROHB3H2.3330.0012
410157PROHG2H2.0840.0001
411157PROHG3H2.0840.0001
412157PROHD2H3.6320.0012
413157PROHD3H3.7960.0022
414158LYSHH8.6680.0011
415158LYSHAH4.2970.0011
416158LYSHB2H1.7820.0002
417158LYSHB3H1.8780.0002
418158LYSHG2H1.5330.0001
419158LYSHG3H1.5330.0001
420158LYSHD2H1.6920.0001
421158LYSHD3H1.6920.0001
422158LYSHE2H3.0400.0001
423158LYSHE3H3.0400.0001
424158LYSHZ1H7.5830.0001
425158LYSHZ2H7.5830.0001
426158LYSHZ3H7.5830.0001
427159NH2HN1H6.8970.0002
428159NH2HN2H7.6960.0002

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: 30982 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: Aib 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 4 experiments Detail
Chemical shift validation 3 contents Detail
Keywords DE NOVO PROTEIN