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Backbone and side-chain chemical shift assignments of the conformers of the C terminal domain (CTD) of MazE9 antitoxin in Mycobacterium tuberculosis
Authors
Basu Roy, T., Sarma, S.P.
Assembly
MazE9 CTD
Entity
1. MazE9 CTD (polymer, Thiol state: not present), 38 monomers, 4039.072 × 2 Da Detail

GSPTLEDDYA NAWQEWSAAG DTDAWEQTVG DGVGDAPR


Total weight
8078.144 Da
Max. entity weight
4039.072 Da
Source organism
Mycobacterium tuberculosis
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemical Shifts 1
1H: 191, 13C: 126, 15N: 39 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
113PROHAH4.3370.0011
213PROHB2H2.1190.0011
313PROHB3H2.1190.0011
413PROHG2H1.8430.0032
513PROHG3H1.7620.0032
613PROHD2H3.5650.0002
713PROHD3H3.6410.0002
813PROCC176.8550.0011
913PROCAC63.3850.0211
1013PROCBC31.9990.0531
1113PROCGC27.2150.0061
1213PROCDC50.6890.0411
1314THRHH8.0770.0011
1414THRHAH4.1560.0001
1514THRHBH4.0570.0001
1614THRHG21H1.0270.0021
1714THRHG22H1.0270.0021
1814THRHG23H1.0270.0021
1914THRCC174.3830.0051
2014THRCAC61.5090.0151
2114THRCBC69.7830.0791
2214THRCG2C21.6100.0101
2314THRNN114.0660.0071
2415LEUHH8.1030.0011
2515LEUHAH4.1790.0011
2615LEUHB2H1.4760.0002
2715LEUHB3H1.4210.0002
2815LEUHGH1.4420.0031
2915LEUHD11H0.6820.0002
3015LEUHD12H0.6820.0002
3115LEUHD13H0.6820.0002
3215LEUHD21H0.7360.0002
3315LEUHD22H0.7360.0002
3415LEUHD23H0.7360.0002
3515LEUCC177.2650.0011
3615LEUCAC55.2540.0151
3715LEUCBC42.1340.0161
3815LEUCGC26.9110.0911
3915LEUCD1C23.3170.0342
4015LEUCD2C24.7510.0302
4115LEUNN124.0840.0111
4216GLUHH8.2150.0011
4316GLUHAH4.0440.0001
4416GLUHB2H2.0830.0052
4516GLUHB3H1.7340.0042
4616GLUHG2H2.0850.0031
4716GLUHG3H2.0850.0031
4816GLUCC176.3190.0691
4916GLUCAC56.7650.0251
5016GLUCBC30.0690.0301
5116GLUCGC36.2490.0071
5216GLUNN120.8700.0171
5317ASPHH8.0280.0011
5417ASPHAH4.3440.0001
5517ASPHB2H2.4350.0001
5617ASPHB3H2.4350.0001
5717ASPCC175.9250.0011
5817ASPCAC54.5610.0001
5917ASPCBC41.0840.0001
6017ASPNN120.5840.0421
6118ASPHH8.0400.0011
6218ASPHAH4.3470.0001
6318ASPHB2H2.4060.0001
6418ASPHB3H2.4060.0001
6518ASPCC176.4870.0361
6618ASPCAC54.4780.0021
6718ASPCBC40.8690.0041
6818ASPNN120.3630.0161
6919TYRHH7.9230.0011
7019TYRHAH4.2680.0021
7119TYRHB2H2.8100.0012
7219TYRHB3H2.9210.0012
7319TYRCC176.1020.0161
7419TYRCAC58.3740.0161
7519TYRCBC38.0710.0151
7619TYRNN120.3730.0241
77110ALAHH7.8800.0011
78110ALAHAH4.0030.0011
79110ALAHB1H1.1800.0001
80110ALAHB2H1.1800.0001
81110ALAHB3H1.1800.0001
82110ALACC177.6420.0061
83110ALACAC53.1500.0041
84110ALACBC18.8140.0301
85110ALANN123.6520.0151
86111ASNHH7.9090.0011
87111ASNHAH4.4420.0001
88111ASNHB2H2.4740.0002
89111ASNHB3H2.5190.0002
90111ASNHD21H7.4770.0021
91111ASNHD22H6.7230.0021
92111ASNCC175.1350.0131
93111ASNCAC53.1790.0771
94111ASNCBC38.7140.0291
95111ASNCGC176.8510.0011
96111ASNNN116.3190.0211
97111ASNND2N112.6790.0641
98112ALAHH7.8520.0021
99112ALAHAH4.0570.0001
100112ALAHB1H1.1210.0051
101112ALAHB2H1.1210.0051
102112ALAHB3H1.1210.0051
103112ALACC177.4380.0051
104112ALACAC52.9290.0251
105112ALACBC18.7860.0491
106112ALANN123.6720.0201
107113TRPHH7.8090.0011
108113TRPHAH4.3000.0041
109113TRPHB2H3.0490.0001
110113TRPHB3H3.0490.0001
111113TRPCC176.1660.0031
112113TRPCAC57.4440.0201
113113TRPCBC28.9880.0321
114113TRPNN119.3370.0151
115114GLNHH7.6130.0011
116114GLNHAH3.8740.0011
117114GLNHB2H1.4940.0002
118114GLNHB3H1.5780.0002
119114GLNHG2H1.7680.0002
120114GLNHG3H1.8400.0002
121114GLNHE21H7.1280.0011
122114GLNHE22H6.5880.0021
123114GLNCC175.4460.0381
124114GLNCAC55.7400.0171
125114GLNCBC29.2960.0651
126114GLNCGC33.2560.0331
127114GLNCDC180.2090.0061
128114GLNNN121.5980.0151
129114GLNNE2N111.3180.0621
130115GLUHH7.9280.0021
131115GLUHAH3.8890.0051
132115GLUHB2H1.6930.0192
133115GLUHB3H2.0040.0002
134115GLUHG2H2.0110.0002
135115GLUHG3H1.9500.0002
136115GLUCC176.1820.0081
137115GLUCAC56.6190.0541
138115GLUCBC29.9570.1121
139115GLUCGC36.0170.0021
140115GLUNN121.1520.0161
141116TRPHH7.8650.0011
142116TRPHAH4.4310.0031
143116TRPHB2H3.0800.0021
144116TRPHB3H3.0800.0021
145116TRPHE1H9.8950.0001
146116TRPCC176.1520.0171
147116TRPCAC57.3320.0621
148116TRPCBC29.4510.0581
149116TRPNN121.5390.0311
150116TRPNE1N129.0330.1251
151117SERHH7.7200.0011
152117SERHAH4.0710.0031
153117SERHB2H3.5140.0002
154117SERHB3H3.4530.0002
155117SERCC173.6960.0181
156117SERCAC57.9140.0421
157117SERCBC63.8310.0451
158117SERNN117.4070.0631
159118ALAHH7.9220.0011
160118ALAHAH4.0070.0001
161118ALAHB1H1.1850.0011
162118ALAHB2H1.1850.0011
163118ALAHB3H1.1850.0011
164118ALACC177.3920.0151
165118ALACAC52.3890.0241
166118ALACBC18.9880.0471
167118ALANN125.8580.0141
168119ALAHH7.9610.0021
169119ALAHAH4.0780.0021
170119ALAHB1H1.1940.0001
171119ALAHB2H1.1940.0001
172119ALAHB3H1.1940.0001
173119ALACC178.0900.0061
174119ALACAC52.5760.0551
175119ALACBC19.0930.0331
176119ALANN122.7240.0191
177120GLYHH8.0200.0011
178120GLYHA2H3.6940.0002
179120GLYHA3H3.7240.0012
180120GLYCC173.8100.0001
181120GLYCAC45.0800.0181
182120GLYNN107.5830.0151
183121ASPHH8.0490.0011
184121ASPHAH4.4980.0001
185121ASPHB2H2.5560.0002
186121ASPHB3H2.4630.0002
187121ASPCC176.5580.0061
188121ASPCAC54.2220.0111
189121ASPCBC41.0730.0201
190121ASPNN120.3120.0141
191122THRHH7.9500.0011
192122THRHAH4.0890.0001
193122THRHBH4.0540.0001
194122THRHG21H0.9870.0001
195122THRHG22H0.9870.0001
196122THRHG23H0.9870.0001
197122THRCC174.3940.0101
198122THRCAC61.9010.0241
199122THRCBC69.6890.0701
200122THRCG2C21.2780.0031
201122THRNN113.6890.0081
202123ASPHH8.1660.0021
203123ASPHAH4.3740.0001
204123ASPHB2H2.4080.0001
205123ASPHB3H2.4080.0001
206123ASPCC176.0430.0031
207123ASPCAC54.5220.0251
208123ASPCBC40.9410.0351
209123ASPNN122.4700.0131
210124ALAHH7.9130.0021
211124ALAHAH4.0780.0011
212124ALAHB1H1.1170.0011
213124ALAHB2H1.1170.0011
214124ALAHB3H1.1170.0011
215124ALACC177.4710.0021
216124ALACAC52.6310.0231
217124ALACBC18.8580.0531
218124ALANN123.6700.0221
219125TRPHH7.8430.0021
220125TRPHAH4.4280.0011
221125TRPHB2H3.0970.0001
222125TRPHB3H3.0970.0001
223125TRPHE1H9.9250.0001
224125TRPCC176.2220.0011
225125TRPCAC57.3780.0191
226125TRPCBC29.2800.0391
227125TRPNN120.0040.0121
228125TRPNE1N129.2220.0091
229126GLUHH7.9380.0021
230126GLUHAH3.9350.0031
231126GLUHB2H1.8810.0002
232126GLUHB3H1.6180.0002
233126GLUHG2H1.8880.0002
234126GLUHG3H1.8930.0052
235126GLUCC175.9750.0321
236126GLUCAC56.5540.0321
237126GLUCBC30.1590.0401
238126GLUCGC35.9840.0061
239126GLUNN122.1380.0171
240127GLNHH7.9990.0011
241127GLNHAH4.0870.0011
242127GLNHB2H1.7700.0012
243127GLNHB3H1.9060.0082
244127GLNHG2H2.1410.0051
245127GLNHG3H2.1410.0051
246127GLNHE21H6.6590.0021
247127GLNHE22H7.3490.0021
248127GLNCC175.9780.0141
249127GLNCAC55.7280.0071
250127GLNCBC29.3150.0941
251127GLNCGC33.6200.0261
252127GLNCDC180.2550.0061
253127GLNNN120.8160.0191
254127GLNNE2N111.9000.0571
255128THRHH8.0470.0011
256128THRHAH4.1670.0001
257128THRHBH4.0090.0031
258128THRHG21H1.0090.0051
259128THRHG22H1.0090.0051
260128THRHG23H1.0090.0051
261128THRCC174.4460.0211
262128THRCAC61.8310.0391
263128THRCBC69.7310.0751
264128THRCG2C21.4320.0201
265128THRNN116.0690.0101
266129VALHH8.0290.0021
267129VALHAH3.9610.0001
268129VALHBH1.8820.0021
269129VALHG11H0.7370.0002
270129VALHG12H0.7370.0002
271129VALHG13H0.7370.0002
272129VALHG21H0.7510.0022
273129VALHG22H0.7510.0022
274129VALHG23H0.7510.0022
275129VALCC176.4190.0001
276129VALCAC62.2770.0471
277129VALCBC32.6980.0181
278129VALCG1C20.3140.0152
279129VALCG2C20.9110.0462
280129VALNN122.4010.0161
281130GLYHH8.2410.0011
282130GLYHA2H3.8000.0001
283130GLYHA3H3.8000.0001
284130GLYCC173.7410.0141
285130GLYCAC45.0670.0041
286130GLYNN112.3140.0151
287131ASPHH8.1330.0011
288131ASPHAH4.4310.0001
289131ASPHB2H2.5160.0001
290131ASPHB3H2.5160.0001
291131ASPCC176.8800.0071
292131ASPCAC54.2800.0071
293131ASPCBC41.1380.0181
294131ASPNN120.3390.0141
295132GLYHH8.3080.0011
296132GLYHA2H3.7890.0001
297132GLYHA3H3.7890.0001
298132GLYCC174.3200.0051
299132GLYCAC45.3720.0121
300132GLYNN109.2830.0071
301133VALHH7.8570.0011
302133VALHAH3.9430.0001
303133VALHBH1.9490.0011
304133VALHG11H0.7420.0052
305133VALHG12H0.7420.0052
306133VALHG13H0.7420.0052
307133VALHG21H0.7500.0022
308133VALHG22H0.7500.0022
309133VALHG23H0.7500.0022
310133VALCC176.7700.0081
311133VALCAC62.5590.0111
312133VALCBC32.4100.0291
313133VALCG1C20.2980.0022
314133VALCG2C20.9400.0172
315133VALNN119.1060.0151
316134GLYHH8.3490.0011
317134GLYHA2H3.7900.0001
318134GLYHA3H3.7900.0001
319134GLYCC173.6860.0001
320134GLYCAC45.0940.0101
321134GLYNN112.0590.0111
322135ASPHH8.0190.0001
323135ASPHAH4.4370.0001
324135ASPHB2H2.4580.0002
325135ASPHB3H2.4240.0002
326135ASPCC175.5560.0191
327135ASPCAC53.9140.0161
328135ASPCBC41.1620.0151
329135ASPNN120.3730.0131
330136ALAHH7.9790.0011
331136ALAHAH4.3950.0001
332136ALAHB1H1.1770.0001
333136ALAHB2H1.1770.0001
334136ALAHB3H1.1770.0001
335136ALACC175.3110.0001
336136ALACAC50.4610.0051
337136ALACBC18.1100.0401
338136ALANN125.1250.0531
339137PROHAH4.2280.0011
340137PROHB2H2.1120.0001
341137PROHB3H2.1120.0001
342137PROHG2H1.7920.0002
343137PROHG3H1.8470.0002
344137PROHD2H3.6110.0032
345137PROHD3H3.4490.0012
346137PROCC176.0350.0141
347137PROCAC63.1600.0141
348137PROCBC31.8540.0061
349137PROCGC27.2790.0001
350137PROCDC50.3680.0561
351138ARGHH7.8590.0011
352138ARGHAH4.0000.0001
353138ARGCC180.9970.0001
354138ARGCAC57.1550.0191
355138ARGCBC32.0320.0001
356138ARGNN126.5630.0221

Chemical Shifts 2
1H: 53, 13C: 47, 15N: 8 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
35713PROHAH4.6620.0001
35813PROHB2H2.1720.0012
35913PROHB3H1.9800.0032
36013PROHG2H1.7930.0002
36113PROHG3H1.6440.0012
36213PROHD2H3.4500.0002
36313PROHD3H3.3260.0022
36413PROCC176.2550.0021
36513PROCAC62.8420.0211
36613PROCBC34.3940.0331
36713PROCGC24.4690.0211
36813PROCDC50.0970.0151
36914THRHH8.3930.0011
37014THRHAH4.1760.0001
37114THRHBH4.0440.0001
37214THRHG21H1.0680.0031
37314THRHG22H1.0680.0031
37414THRHG23H1.0680.0031
37514THRCC174.3180.0131
37614THRCAC62.2590.0531
37714THRCBC69.6320.0901
37814THRCG2C21.7300.0171
37914THRNN116.7240.0231
38015LEUHH8.2950.0011
38115LEUHAH4.1940.0001
38215LEUHB2H1.4410.0001
38315LEUHB3H1.4410.0001
38415LEUHGH1.5170.0001
38515LEUHD11H0.7100.0032
38615LEUHD12H0.7100.0032
38715LEUHD13H0.7100.0032
38815LEUHD21H0.7130.0002
38915LEUHD22H0.7130.0002
39015LEUHD23H0.7130.0002
39115LEUCC177.2300.0091
39215LEUCAC55.1340.0551
39315LEUCBC42.1550.0401
39415LEUCGC26.9610.0871
39515LEUCD1C23.2320.0062
39615LEUCD2C24.6950.0002
39715LEUNN125.4020.0191
39816GLUHH8.2970.0021
39916GLUCC176.3280.0001
40016GLUCAC56.8470.0001
40116GLUCBC30.0130.0001
40216GLUNN120.9640.0161
403129VALHAH4.0000.0001
404129VALHBH1.9600.0001
405129VALHG11H0.7430.0012
406129VALHG12H0.7430.0012
407129VALHG13H0.7430.0012
408129VALHG21H0.7430.0002
409129VALHG22H0.7430.0002
410129VALHG23H0.7430.0002
411129VALCC175.7430.0261
412129VALCAC62.1920.0141
413129VALCBC32.6550.0271
414129VALCG1C19.9080.0022
415129VALCG2C20.9760.0002
416130GLYHH7.9540.0011
417130GLYCC178.8550.0001
418130GLYCAC45.9520.0001
419130GLYNN118.4650.0171
420131ASPHAH4.4330.0001
421131ASPHB2H2.5140.0001
422131ASPHB3H2.5140.0001
423131ASPCC176.8330.0191
424131ASPCAC54.2820.0051
425131ASPCBC41.1320.0181
426132GLYHH8.2690.0021
427132GLYHA2H3.7900.0001
428132GLYHA3H3.7900.0001
429132GLYCC174.0770.0231
430132GLYCAC45.3900.0121
431132GLYNN109.1860.0131
432133VALHH7.8080.0031
433133VALCC175.7640.0001
434133VALCAC62.1770.0001
435133VALCBC32.6910.0001
436133VALNN118.9910.0171
437135ASPHAH4.4170.0001
438135ASPHB2H2.4290.0002
439135ASPHB3H2.4690.0002
440135ASPCC174.7610.0001
441135ASPCAC53.9790.0351
442135ASPCBC41.1380.0211
443136ALAHH7.8040.0011
444136ALACC175.3630.0001
445136ALACAC50.4150.0001
446136ALACBC19.1460.0001
447136ALANN122.5190.0141
448137PROHAH4.4190.0001
449137PROHB2H2.1580.0002
450137PROHB3H2.0030.0002
451137PROHG2H1.7560.0001
452137PROHG3H1.7560.0001
453137PROHD2H3.3370.0001
454137PROHD3H3.3370.0001
455137PROCC175.4080.0131
456137PROCAC62.6130.0321
457137PROCBC34.1220.0241
458137PROCGC24.4920.0021
459137PROCDC50.1510.0391
460138ARGHH8.0950.0011
461138ARGCC180.8200.0001
462138ARGCAC57.4520.0001
463138ARGCBC31.3200.0001
464138ARGNN127.1450.0181

Release date
2023-02-20
Citation
Insights into the solution structure and transcriptional regulation of the MazE9 antitoxin in Mycobacterium tuberculosis
Basu Roy, T., Sarma, S.P.
Proteins (2023), PubMed 37737533 , DOI 10.1002/prot.26589 ,
Entries sharing articles BMRB: 3 entries Detail
  BMRB: 51857 released on 2023-02-26
    Title Backbone and side-chain chemical shift assignments of the MazE9 antitoxin in Mycobacterium tuberculosis
  BMRB: 51858 released on 2023-02-26
    Title Backbone and side-chain chemical shift assignments of the P44A mutant of the MazE9 antitoxin in Mycobacterium tuberculosis
  BMRB: 51855 released on 2023-02-22
    Title Backbone and side-chain chemical shift assignments of the N terminal domain of the MazE9 (nMazE9) antitoxin in Mycobacterium tuberculosis
Related entities 1. MazE9 CTD, : 1 : 2 : 7 entities Detail
Experiments performed 9 experiments Detail
Chemical shift validation 4 contents Detail