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BMRB: 51855

8IMH

Backbone and side-chain chemical shift assignments of the N terminal domain of the MazE9 (nMazE9) antitoxin in Mycobacterium tuberculosis

Authors

Basu Roy, T., Sarma, S.P.

Assembly

nMazE9

Entity

1. nMazE9 (polymer, Thiol state: not present), 43 monomers, 4617.251 × 2 Da Detail

SGSMKLSVSL SDDDVAILDA YVKRAGLPSR SAGLQHAIRV LRY

Total weight

9234.502 Da

Max. entity weight

4617.251 Da

Source organism

Mycobacterium tuberculosis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 292, ¹³C: 126, ¹⁵N: 44 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	GLY	CA	C	45.126	0.017	1
2	1	3	SER	H	H	8.052	0.004	1
3	1	3	SER	HA	H	4.565	0.008	1
4	1	3	SER	HB2	H	3.538	0.008	2
5	1	3	SER	HB3	H	3.493	0.003	2
6	1	3	SER	CA	C	57.748	0.028	1
7	1	3	SER	CB	C	64.797	0.013	1
8	1	3	SER	N	N	115.181	0.024	1
9	1	4	MET	H	H	8.817	0.007	1
10	1	4	MET	HA	H	4.456	0.003	1
11	1	4	MET	HB2	H	1.810	0.006	1
12	1	4	MET	HB3	H	1.810	0.006	1
13	1	4	MET	HG2	H	2.270	0.004	1
14	1	4	MET	HG3	H	2.271	0.004	1
15	1	4	MET	CA	C	54.746	0.016	1
16	1	4	MET	CB	C	34.971	0.051	1
17	1	4	MET	CG	C	31.422	0.000	1
18	1	4	MET	N	N	122.521	0.015	1
19	1	5	LYS	H	H	8.219	0.006	1
20	1	5	LYS	HA	H	4.800	0.003	1
21	1	5	LYS	HB2	H	1.488	0.004	1
22	1	5	LYS	HB3	H	1.488	0.004	1
23	1	5	LYS	HG2	H	1.075	0.004	2
24	1	5	LYS	HG3	H	1.181	0.004	2
25	1	5	LYS	HD2	H	1.406	0.004	1
26	1	5	LYS	HD3	H	1.406	0.004	1
27	1	5	LYS	HE2	H	2.721	0.002	1
28	1	5	LYS	HE3	H	2.721	0.002	1
29	1	5	LYS	CA	C	55.026	0.089	1
30	1	5	LYS	CB	C	32.971	0.056	1
31	1	5	LYS	CG	C	24.726	0.000	1
32	1	5	LYS	CD	C	29.109	0.000	1
33	1	5	LYS	CE	C	41.799	0.000	1
34	1	5	LYS	N	N	123.322	0.026	1
35	1	6	LEU	H	H	8.790	0.006	1
36	1	6	LEU	HA	H	4.501	0.003	1
37	1	6	LEU	HB2	H	1.323	0.007	2
38	1	6	LEU	HB3	H	1.331	0.006	2
39	1	6	LEU	HG	H	1.226	0.005	1
40	1	6	LEU	HD11	H	0.617	0.005	2
41	1	6	LEU	HD12	H	0.617	0.005	2
42	1	6	LEU	HD13	H	0.617	0.005	2
43	1	6	LEU	HD21	H	0.621	0.009	2
44	1	6	LEU	HD22	H	0.621	0.009	2
45	1	6	LEU	HD23	H	0.621	0.009	2
46	1	6	LEU	CA	C	53.753	0.036	1
47	1	6	LEU	CB	C	45.022	0.038	1
48	1	6	LEU	CG	C	27.307	0.000	1
49	1	6	LEU	CD1	C	25.336	0.000	1
50	1	6	LEU	CD2	C	25.336	0.000	1
51	1	6	LEU	N	N	125.464	0.027	1
52	1	7	SER	H	H	8.266	0.004	1
53	1	7	SER	HA	H	5.153	0.003	1
54	1	7	SER	HB2	H	3.507	0.006	2
55	1	7	SER	HB3	H	3.530	0.007	2
56	1	7	SER	CA	C	56.859	0.033	1
57	1	7	SER	CB	C	63.776	0.059	1
58	1	7	SER	N	N	117.335	0.010	1
59	1	8	VAL	H	H	8.787	0.008	1
60	1	8	VAL	HA	H	4.378	0.004	1
61	1	8	VAL	HB	H	1.825	0.005	1
62	1	8	VAL	HG11	H	0.600	0.003	2
63	1	8	VAL	HG12	H	0.600	0.003	2
64	1	8	VAL	HG13	H	0.600	0.003	2
65	1	8	VAL	HG21	H	0.599	0.002	2
66	1	8	VAL	HG22	H	0.599	0.002	2
67	1	8	VAL	HG23	H	0.599	0.002	2
68	1	8	VAL	CA	C	59.252	0.052	1
69	1	8	VAL	CB	C	35.082	0.034	1
70	1	8	VAL	CG1	C	20.804	0.000	2
71	1	8	VAL	CG2	C	20.077	0.000	2
72	1	8	VAL	N	N	121.840	0.023	1
73	1	9	SER	H	H	8.332	0.005	1
74	1	9	SER	HA	H	5.043	0.002	1
75	1	9	SER	HB2	H	3.498	0.003	2
76	1	9	SER	HB3	H	3.439	0.003	2
77	1	9	SER	CA	C	56.984	0.034	1
78	1	9	SER	CB	C	63.749	0.030	1
79	1	9	SER	N	N	119.911	0.059	1
80	1	10	LEU	H	H	8.412	0.008	1
81	1	10	LEU	HA	H	4.736	0.003	1
82	1	10	LEU	HB2	H	1.359	0.009	2
83	1	10	LEU	HB3	H	1.352	0.009	2
84	1	10	LEU	HG	H	1.475	0.005	1
85	1	10	LEU	HD11	H	0.534	0.004	2
86	1	10	LEU	HD12	H	0.534	0.004	2
87	1	10	LEU	HD13	H	0.534	0.004	2
88	1	10	LEU	HD21	H	0.715	0.006	2
89	1	10	LEU	HD22	H	0.715	0.006	2
90	1	10	LEU	HD23	H	0.715	0.006	2
91	1	10	LEU	CA	C	52.527	0.029	1
92	1	10	LEU	CB	C	46.607	0.017	1
93	1	10	LEU	CG	C	26.550	0.000	1
94	1	10	LEU	CD1	C	23.573	0.000	1
95	1	10	LEU	CD2	C	23.573	0.000	1
96	1	10	LEU	N	N	124.741	0.018	1
97	1	11	SER	H	H	9.359	0.005	1
98	1	11	SER	HA	H	4.583	0.018	1
99	1	11	SER	HB2	H	3.862	0.004	2
100	1	11	SER	HB3	H	4.163	0.004	2
101	1	11	SER	CA	C	57.306	0.029	1
102	1	11	SER	CB	C	65.152	0.027	1
103	1	11	SER	N	N	118.203	0.009	1
104	1	12	ASP	H	H	8.477	0.007	1
105	1	12	ASP	HA	H	4.078	0.004	1
106	1	12	ASP	HB2	H	2.466	0.009	2
107	1	12	ASP	HB3	H	2.463	0.009	2
108	1	12	ASP	CA	C	57.540	0.082	1
109	1	12	ASP	CB	C	39.791	0.073	1
110	1	12	ASP	N	N	121.331	0.011	1
111	1	13	ASP	H	H	8.116	0.009	1
112	1	13	ASP	HA	H	4.232	0.002	1
113	1	13	ASP	HB2	H	2.368	0.006	2
114	1	13	ASP	HB3	H	2.446	0.016	2
115	1	13	ASP	CA	C	57.147	0.147	1
116	1	13	ASP	CB	C	40.625	0.047	1
117	1	13	ASP	N	N	119.378	0.016	1
118	1	14	ASP	H	H	7.623	0.004	1
119	1	14	ASP	HA	H	4.251	0.005	1
120	1	14	ASP	HB2	H	2.874	0.004	2
121	1	14	ASP	HB3	H	2.323	0.008	2
122	1	14	ASP	CA	C	57.454	0.004	1
123	1	14	ASP	CB	C	41.344	0.087	1
124	1	14	ASP	N	N	120.796	0.027	1
125	1	15	VAL	H	H	8.078	0.005	1
126	1	15	VAL	HA	H	3.251	0.005	1
127	1	15	VAL	HB	H	1.909	0.005	1
128	1	15	VAL	HG11	H	0.751	0.003	2
129	1	15	VAL	HG12	H	0.751	0.003	2
130	1	15	VAL	HG13	H	0.751	0.003	2
131	1	15	VAL	HG21	H	0.825	0.003	2
132	1	15	VAL	HG22	H	0.825	0.003	2
133	1	15	VAL	HG23	H	0.825	0.003	2
134	1	15	VAL	CA	C	66.735	0.020	1
135	1	15	VAL	CB	C	31.394	0.009	1
136	1	15	VAL	N	N	119.460	0.021	1
137	1	16	ALA	H	H	7.701	0.005	1
138	1	16	ALA	HA	H	4.073	0.004	1
139	1	16	ALA	HB1	H	1.388	0.003	1
140	1	16	ALA	HB2	H	1.388	0.003	1
141	1	16	ALA	HB3	H	1.388	0.003	1
142	1	16	ALA	CA	C	55.329	0.014	1
143	1	16	ALA	CB	C	17.576	0.058	1
144	1	16	ALA	N	N	121.475	0.003	1
145	1	17	ILE	H	H	7.496	0.005	1
146	1	17	ILE	HA	H	3.540	0.004	1
147	1	17	ILE	HB	H	1.784	0.004	1
148	1	17	ILE	HG12	H	0.885	0.010	2
149	1	17	ILE	HG13	H	0.887	0.009	2
150	1	17	ILE	HG21	H	0.710	0.006	1
151	1	17	ILE	HG22	H	0.710	0.006	1
152	1	17	ILE	HG23	H	0.710	0.006	1
153	1	17	ILE	CA	C	64.915	0.022	1
154	1	17	ILE	CB	C	37.936	0.051	1
155	1	17	ILE	CG1	C	28.553	0.000	1
156	1	17	ILE	CG2	C	18.396	0.000	1
157	1	17	ILE	CD1	C	13.536	0.000	1
158	1	17	ILE	N	N	120.448	0.031	1
159	1	18	LEU	H	H	7.902	0.012	1
160	1	18	LEU	HA	H	3.845	0.006	1
161	1	18	LEU	HB2	H	2.097	0.006	2
162	1	18	LEU	HB3	H	1.501	0.006	2
163	1	18	LEU	HG	H	1.215	0.006	1
164	1	18	LEU	HD11	H	0.773	0.009	2
165	1	18	LEU	HD12	H	0.773	0.009	2
166	1	18	LEU	HD13	H	0.773	0.009	2
167	1	18	LEU	HD21	H	0.651	0.004	2
168	1	18	LEU	HD22	H	0.651	0.004	2
169	1	18	LEU	HD23	H	0.651	0.004	2
170	1	18	LEU	CA	C	58.040	0.017	1
171	1	18	LEU	CB	C	42.198	0.032	1
172	1	18	LEU	CG	C	27.093	0.000	1
173	1	18	LEU	CD1	C	25.663	0.000	2
174	1	18	LEU	CD2	C	22.162	0.000	2
175	1	18	LEU	N	N	122.321	0.020	1
176	1	19	ASP	H	H	9.197	0.006	1
177	1	19	ASP	HA	H	4.197	0.005	1
178	1	19	ASP	HB2	H	2.539	0.006	2
179	1	19	ASP	HB3	H	2.372	0.007	2
180	1	19	ASP	CA	C	57.143	0.040	1
181	1	19	ASP	CB	C	39.372	0.047	1
182	1	19	ASP	N	N	119.096	0.025	1
183	1	20	ALA	H	H	7.839	0.004	1
184	1	20	ALA	HA	H	4.030	0.003	1
185	1	20	ALA	HB1	H	1.384	0.005	1
186	1	20	ALA	HB2	H	1.384	0.005	1
187	1	20	ALA	HB3	H	1.384	0.005	1
188	1	20	ALA	CA	C	54.925	0.032	1
189	1	20	ALA	CB	C	17.631	0.060	1
190	1	20	ALA	N	N	123.531	0.019	1
191	1	21	TYR	H	H	8.016	0.011	1
192	1	21	TYR	HA	H	3.889	0.007	1
193	1	21	TYR	HB2	H	3.006	0.009	2
194	1	21	TYR	HB3	H	3.011	0.010	2
195	1	21	TYR	HD1	H	6.712	0.003	1
196	1	21	TYR	HD2	H	6.712	0.003	1
197	1	21	TYR	HE1	H	6.533	0.003	1
198	1	21	TYR	HE2	H	6.533	0.003	1
199	1	21	TYR	CA	C	61.933	0.006	1
200	1	21	TYR	CB	C	38.479	0.033	1
201	1	21	TYR	N	N	121.509	0.017	1
202	1	22	VAL	H	H	8.661	0.006	1
203	1	22	VAL	HA	H	3.008	0.004	1
204	1	22	VAL	HB	H	2.054	0.007	1
205	1	22	VAL	HG11	H	0.927	0.003	2
206	1	22	VAL	HG12	H	0.927	0.003	2
207	1	22	VAL	HG13	H	0.927	0.003	2
208	1	22	VAL	HG21	H	0.565	0.002	2
209	1	22	VAL	HG22	H	0.565	0.002	2
210	1	22	VAL	HG23	H	0.565	0.002	2
211	1	22	VAL	CA	C	66.937	0.025	1
212	1	22	VAL	CB	C	31.984	0.013	1
213	1	22	VAL	CG1	C	24.445	0.000	2
214	1	22	VAL	CG2	C	21.071	0.000	2
215	1	22	VAL	N	N	119.042	0.016	1
216	1	23	LYS	H	H	7.491	0.009	1
217	1	23	LYS	HA	H	3.940	0.005	1
218	1	23	LYS	HB2	H	1.703	0.005	1
219	1	23	LYS	HB3	H	1.703	0.005	1
220	1	23	LYS	HG2	H	1.287	0.013	2
221	1	23	LYS	HG3	H	1.220	0.014	2
222	1	23	LYS	HD2	H	1.508	0.003	1
223	1	23	LYS	HD3	H	1.509	0.004	1
224	1	23	LYS	HE2	H	2.797	0.002	1
225	1	23	LYS	HE3	H	2.797	0.002	1
226	1	23	LYS	CA	C	58.795	0.007	1
227	1	23	LYS	CB	C	32.470	0.069	1
228	1	23	LYS	CG	C	24.682	0.000	1
229	1	23	LYS	CD	C	29.177	0.000	1
230	1	23	LYS	CE	C	41.969	0.000	1
231	1	23	LYS	N	N	116.969	0.045	1
232	1	24	ARG	H	H	7.827	0.009	1
233	1	24	ARG	HA	H	3.821	0.003	1
234	1	24	ARG	HB2	H	1.690	0.006	2
235	1	24	ARG	HB3	H	1.581	0.006	2
236	1	24	ARG	HG2	H	1.448	0.004	1
237	1	24	ARG	HG3	H	1.447	0.004	1
238	1	24	ARG	HD2	H	2.951	0.005	2
239	1	24	ARG	HD3	H	3.141	0.002	2
240	1	24	ARG	HH11	H	6.913	0.004	1
241	1	24	ARG	HH12	H	6.911	0.002	1
242	1	24	ARG	HH21	H	6.631	0.003	1
243	1	24	ARG	HH22	H	6.631	0.003	1
244	1	24	ARG	CA	C	58.840	0.034	1
245	1	24	ARG	CB	C	29.860	0.048	1
246	1	24	ARG	CG	C	26.939	0.000	1
247	1	24	ARG	CD	C	43.275	0.000	1
248	1	24	ARG	N	N	120.659	0.009	1
249	1	25	ALA	H	H	8.325	0.007	1
250	1	25	ALA	HA	H	3.969	0.005	1
251	1	25	ALA	HB1	H	0.676	0.004	1
252	1	25	ALA	HB2	H	0.676	0.004	1
253	1	25	ALA	HB3	H	0.676	0.004	1
254	1	25	ALA	CA	C	51.770	0.024	1
255	1	25	ALA	CB	C	18.336	0.046	1
256	1	25	ALA	N	N	118.675	0.029	1
257	1	26	GLY	H	H	7.347	0.010	1
258	1	26	GLY	HA2	H	3.682	0.007	2
259	1	26	GLY	HA3	H	3.703	0.005	2
260	1	26	GLY	CA	C	46.501	0.032	1
261	1	26	GLY	N	N	108.136	0.015	1
262	1	27	LEU	H	H	7.844	0.005	1
263	1	27	LEU	HA	H	4.421	0.004	1
264	1	27	LEU	HB2	H	1.273	0.005	2
265	1	27	LEU	HB3	H	1.185	0.006	2
266	1	27	LEU	HG	H	1.558	0.005	1
267	1	27	LEU	HD11	H	0.372	0.003	2
268	1	27	LEU	HD12	H	0.372	0.003	2
269	1	27	LEU	HD13	H	0.372	0.003	2
270	1	27	LEU	HD21	H	0.575	0.005	2
271	1	27	LEU	HD22	H	0.575	0.005	2
272	1	27	LEU	HD23	H	0.575	0.005	2
273	1	27	LEU	CA	C	52.263	0.000	1
274	1	27	LEU	CB	C	42.236	0.000	1
275	1	27	LEU	N	N	118.613	0.031	1
276	1	28	PRO	HA	H	4.320	0.004	1
277	1	28	PRO	HB2	H	2.133	0.003	2
278	1	28	PRO	HB3	H	1.999	0.005	2
279	1	28	PRO	HG2	H	1.883	0.004	2
280	1	28	PRO	HG3	H	1.781	0.003	2
281	1	28	PRO	HD2	H	3.335	0.004	2
282	1	28	PRO	HD3	H	3.636	0.004	2
283	1	28	PRO	CA	C	64.150	0.037	1
284	1	28	PRO	CB	C	32.367	0.060	1
285	1	28	PRO	CG	C	26.960	0.000	1
286	1	28	PRO	CD	C	50.571	0.000	1
287	1	29	SER	H	H	6.714	0.011	1
288	1	29	SER	HA	H	4.649	0.018	1
289	1	29	SER	CA	C	56.462	0.104	1
290	1	29	SER	CB	C	66.107	0.065	1
291	1	29	SER	N	N	108.545	0.024	1
292	1	30	ARG	H	H	9.021	0.023	1
293	1	30	ARG	HA	H	3.771	0.006	1
294	1	30	ARG	HB2	H	1.780	0.016	2
295	1	30	ARG	HB3	H	1.797	0.005	2
296	1	30	ARG	HG2	H	1.472	0.007	1
297	1	30	ARG	HG3	H	1.472	0.007	1
298	1	30	ARG	HD2	H	3.186	0.003	2
299	1	30	ARG	HD3	H	2.590	0.003	2
300	1	30	ARG	HE	H	9.732	0.006	1
301	1	30	ARG	CA	C	60.553	0.056	1
302	1	30	ARG	CB	C	30.963	0.048	1
303	1	30	ARG	CG	C	28.754	0.065	1
304	1	30	ARG	CD	C	43.704	0.012	1
305	1	30	ARG	N	N	119.741	0.044	1
306	1	30	ARG	NE	N	84.715	0.003	1
307	1	31	SER	H	H	8.360	0.009	1
308	1	31	SER	HA	H	4.613	0.008	1
309	1	31	SER	HB2	H	4.510	0.000	1
310	1	31	SER	HB3	H	4.510	0.000	1
311	1	31	SER	CA	C	63.521	0.064	1
312	1	31	SER	CB	C	62.416	0.079	1
313	1	31	SER	N	N	115.236	0.067	1
314	1	32	ALA	H	H	7.944	0.007	1
315	1	32	ALA	HA	H	4.176	0.003	1
316	1	32	ALA	HB1	H	1.421	0.003	1
317	1	32	ALA	HB2	H	1.421	0.003	1
318	1	32	ALA	HB3	H	1.421	0.003	1
319	1	32	ALA	CA	C	54.602	0.029	1
320	1	32	ALA	CB	C	18.569	0.030	1
321	1	32	ALA	N	N	123.761	0.010	1
322	1	33	GLY	H	H	7.661	0.008	1
323	1	33	GLY	HA2	H	3.599	0.008	2
324	1	33	GLY	HA3	H	3.397	0.006	2
325	1	33	GLY	CA	C	47.500	0.010	1
326	1	33	GLY	N	N	104.489	0.018	1
327	1	34	LEU	H	H	8.030	0.005	1
328	1	34	LEU	HA	H	3.838	0.006	1
329	1	34	LEU	HB2	H	1.857	0.005	1
330	1	34	LEU	HB3	H	1.857	0.005	1
331	1	34	LEU	HG	H	1.169	0.010	1
332	1	34	LEU	HD11	H	0.772	0.003	2
333	1	34	LEU	HD12	H	0.772	0.003	2
334	1	34	LEU	HD13	H	0.772	0.003	2
335	1	34	LEU	HD21	H	0.652	0.004	2
336	1	34	LEU	HD22	H	0.652	0.004	2
337	1	34	LEU	HD23	H	0.652	0.004	2
338	1	34	LEU	CA	C	57.390	0.017	1
339	1	34	LEU	CB	C	41.507	0.076	1
340	1	34	LEU	CG	C	26.197	0.000	1
341	1	34	LEU	CD1	C	24.179	0.000	1
342	1	34	LEU	CD2	C	24.179	0.000	1
343	1	34	LEU	N	N	121.496	0.007	1
344	1	35	GLN	H	H	8.023	0.006	1
345	1	35	GLN	HA	H	3.577	0.005	1
346	1	35	GLN	HB2	H	2.126	0.007	2
347	1	35	GLN	HB3	H	2.045	0.004	2
348	1	35	GLN	HG2	H	2.462	0.008	2
349	1	35	GLN	HG3	H	2.221	0.005	2
350	1	35	GLN	HE21	H	6.649	0.005	1
351	1	35	GLN	HE22	H	7.907	0.004	1
352	1	35	GLN	CA	C	59.896	0.036	1
353	1	35	GLN	CB	C	28.302	0.032	1
354	1	35	GLN	CG	C	34.300	0.066	1
355	1	35	GLN	N	N	118.034	0.082	1
356	1	35	GLN	NE2	N	111.962	0.029	1
357	1	36	HIS	H	H	7.655	0.013	1
358	1	36	HIS	HA	H	3.979	0.005	1
359	1	36	HIS	HB2	H	3.208	0.005	2
360	1	36	HIS	HB3	H	2.998	0.004	2
361	1	36	HIS	HD2	H	6.728	0.005	1
362	1	36	HIS	HE1	H	7.682	0.005	1
363	1	36	HIS	CA	C	59.947	0.010	1
364	1	36	HIS	CB	C	30.649	0.041	1
365	1	36	HIS	N	N	117.102	0.066	1
366	1	37	ALA	H	H	7.890	0.008	1
367	1	37	ALA	HA	H	3.605	0.005	1
368	1	37	ALA	HB1	H	1.088	0.004	1
369	1	37	ALA	HB2	H	1.088	0.004	1
370	1	37	ALA	HB3	H	1.088	0.004	1
371	1	37	ALA	CA	C	54.437	0.027	1
372	1	37	ALA	CB	C	17.474	0.042	1
373	1	37	ALA	N	N	120.526	0.014	1
374	1	38	ILE	H	H	7.756	0.007	1
375	1	38	ILE	HA	H	3.237	0.007	1
376	1	38	ILE	HB	H	1.685	0.008	1
377	1	38	ILE	HG12	H	0.750	0.003	1
378	1	38	ILE	HG13	H	0.750	0.003	1
379	1	38	ILE	HG21	H	0.598	0.003	1
380	1	38	ILE	HG22	H	0.598	0.003	1
381	1	38	ILE	HG23	H	0.598	0.003	1
382	1	38	ILE	HD11	H	0.484	0.006	1
383	1	38	ILE	HD12	H	0.484	0.006	1
384	1	38	ILE	HD13	H	0.484	0.006	1
385	1	38	ILE	CA	C	64.072	0.059	1
386	1	38	ILE	CB	C	38.175	0.047	1
387	1	38	ILE	CG1	C	26.914	0.000	1
388	1	38	ILE	CG2	C	18.289	0.000	1
389	1	38	ILE	CD1	C	14.971	0.000	1
390	1	38	ILE	N	N	114.704	0.039	1
391	1	39	ARG	H	H	7.234	0.009	1
392	1	39	ARG	HA	H	3.754	0.004	1
393	1	39	ARG	HB2	H	1.750	0.009	2
394	1	39	ARG	HB3	H	1.668	0.006	2
395	1	39	ARG	HG2	H	1.494	0.004	1
396	1	39	ARG	HG3	H	1.494	0.004	1
397	1	39	ARG	HD2	H	2.938	0.004	2
398	1	39	ARG	HD3	H	2.843	0.005	2
399	1	39	ARG	HE	H	7.650	0.004	1
400	1	39	ARG	CA	C	58.929	0.012	1
401	1	39	ARG	CB	C	29.742	0.053	1
402	1	39	ARG	CG	C	27.789	0.017	1
403	1	39	ARG	CD	C	43.424	0.042	1
404	1	39	ARG	N	N	116.373	0.042	1
405	1	39	ARG	NE	N	85.011	0.079	1
406	1	40	VAL	H	H	7.203	0.013	1
407	1	40	VAL	HA	H	3.958	0.005	1
408	1	40	VAL	HB	H	2.108	0.005	1
409	1	40	VAL	HG11	H	0.726	0.004	2
410	1	40	VAL	HG12	H	0.726	0.004	2
411	1	40	VAL	HG13	H	0.726	0.004	2
412	1	40	VAL	HG21	H	0.705	0.008	2
413	1	40	VAL	HG22	H	0.705	0.008	2
414	1	40	VAL	HG23	H	0.705	0.008	2
415	1	40	VAL	CA	C	62.516	0.020	1
416	1	40	VAL	CB	C	31.229	0.079	1
417	1	40	VAL	CG1	C	21.154	0.000	2
418	1	40	VAL	CG2	C	20.280	0.000	2
419	1	40	VAL	N	N	113.466	0.054	1
420	1	41	LEU	H	H	7.286	0.007	1
421	1	41	LEU	HA	H	3.845	0.004	1
422	1	41	LEU	HB2	H	1.389	0.004	2
423	1	41	LEU	HB3	H	1.599	0.003	2
424	1	41	LEU	HG	H	1.059	0.005	1
425	1	41	LEU	HD11	H	-0.074	0.004	2
426	1	41	LEU	HD12	H	-0.074	0.004	2
427	1	41	LEU	HD13	H	-0.074	0.004	2
428	1	41	LEU	HD21	H	0.313	0.003	2
429	1	41	LEU	HD22	H	0.313	0.003	2
430	1	41	LEU	HD23	H	0.313	0.003	2
431	1	41	LEU	CA	C	55.133	0.011	1
432	1	41	LEU	CB	C	40.979	0.018	1
433	1	41	LEU	CG	C	25.686	0.000	1
434	1	41	LEU	CD1	C	24.652	0.000	2
435	1	41	LEU	CD2	C	20.911	0.000	2
436	1	41	LEU	N	N	120.771	0.018	1
437	1	42	ARG	H	H	7.439	0.007	1
438	1	42	ARG	HA	H	4.103	0.007	1
439	1	42	ARG	HB2	H	1.583	0.006	2
440	1	42	ARG	HB3	H	1.535	0.007	2
441	1	42	ARG	HG2	H	1.400	0.005	1
442	1	42	ARG	HG3	H	1.400	0.005	1
443	1	42	ARG	HD2	H	3.018	0.009	2
444	1	42	ARG	HD3	H	3.016	0.012	2
445	1	42	ARG	HE	H	7.025	0.005	1
446	1	42	ARG	CA	C	56.320	0.025	1
447	1	42	ARG	CB	C	31.330	0.049	1
448	1	42	ARG	CG	C	27.003	0.009	1
449	1	42	ARG	CD	C	43.399	0.042	1
450	1	42	ARG	N	N	120.461	0.028	1
451	1	42	ARG	NE	N	84.346	0.094	1
452	1	43	TYR	H	H	7.530	0.008	1
453	1	43	TYR	HA	H	4.283	0.004	1
454	1	43	TYR	HB2	H	2.885	0.006	2
455	1	43	TYR	HB3	H	2.797	0.003	2
456	1	43	TYR	HD1	H	6.914	0.003	1
457	1	43	TYR	HD2	H	6.914	0.003	1
458	1	43	TYR	HE1	H	6.635	0.005	1
459	1	43	TYR	HE2	H	6.635	0.005	1
460	1	43	TYR	CA	C	59.126	0.000	1
461	1	43	TYR	CB	C	39.384	0.000	1
462	1	43	TYR	N	N	126.037	0.013	1

Release date

2023-02-22

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 , Abstract

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: 51850 released on 2023-02-20
    Title Backbone and side-chain chemical shift assignments of the conformers of the C terminal domain (CTD) of MazE9 antitoxin in Mycobacterium tuberculosis

Related entities 1. nMazE9, : 1 : 2 : 15 entities Detail

Experiments performed 5 experiments Detail

#	Name	Isotope labeling	Concentration
1	nMazE9	natural abundance	450 uM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.01 %
5	D2O	natural abundance	10 %

#	Name	Isotope labeling	Concentration
1	nMazE9	natural abundance	450 uM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	20 mM
4	sodium azide	natural abundance	0.01 %
5	D2O	natural abundance	10 %

#	Name	Isotope labeling	Concentration
6	nMazE9	[U-100% 13C; U-100% 15N]	430 uM
7	potassium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	20 mM
9	sodium azide	natural abundance	0.01 %
10	D2O	natural abundance	10 %

#	Name	Isotope labeling	Concentration
6	nMazE9	[U-100% 13C; U-100% 15N]	430 uM
7	potassium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	20 mM
9	sodium azide	natural abundance	0.01 %
10	D2O	natural abundance	10 %

#	Name	Isotope labeling	Concentration
6	nMazE9	[U-100% 13C; U-100% 15N]	430 uM
7	potassium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	20 mM
9	sodium azide	natural abundance	0.01 %
10	D2O	natural abundance	10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr51855_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr51855_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	462		97.7 (chain: 1, length: 43)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 43, Sequence coverage: 97.7%
- Total number of assignments
  - ¹³C chemical shifts: 126
  - ¹H chemical shifts: 292
  - ¹⁵N chemical shifts: 44
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
24	ARG	HH11	6.913
24	ARG	HH12	6.911
24	ARG	HH21	6.631
24	ARG	HH22	6.631

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	187	126	67.4
¹H chemical shifts	244	232	95.1
¹⁵N chemical shifts	47	44	93.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	86	42	48.8
¹H chemical shifts	88	83	94.3
¹⁵N chemical shifts	42	40	95.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	101	84	83.2
¹H chemical shifts	156	149	95.5
¹⁵N chemical shifts	5	4	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	30	25	83.3
¹H chemical shifts	30	28	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	10	0	0.0
¹H chemical shifts	10	10	100.0

Keywords MazE9, Mycobacterium tuberculosis, mazE-mt1, transcription

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BMRB: 51855

Entries sharing articles BMRB: 3 entries Detail

Related entities 1. nMazE9, : 1 : 2 : 15 entities Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail