BMRBj - BMREntryMaster

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BMRB: 34749

Domain 2 of zinc-loaded Caenorhabditis elegans MTL-1

Authors

Leszczyszyn, O.I., Sturzenbaum, S.R., Blindauer, C.A.

Assembly

Metallothionein-1

Entity

1. Metallothionein-1, entity 1 (polymer), 74 monomers, 7959.069 Da Detail

ACKCDCKNKQ CKCGDKCECS GDKCCEKYCC EEASEKKCCP AGCKGDCKCA NCHCAEQKQC GDKTHQHQGT AAAH

2. Metallothionein-1, entity ZN (non-polymer), 65.409 × 4 Da

Total weight

8220.705 Da

Max. entity weight

7959.069 Da

Entity Connection

na 8 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS43:SG	2:ZN1:ZN
2	na	sing	1:CYS47:SG	2:ZN1:ZN
3	na	sing	1:CYS52:SG	2:ZN1:ZN
4	na	sing	1:HIS53:ND1	2:ZN1:ZN
5	na	sing	1:CYS54:SG	2:ZN1:ZN
6	na	sing	1:CYS60:SG	2:ZN1:ZN
7	na	sing	1:HIS65:ND1	2:ZN1:ZN
8	na	sing	1:HIS67:NE2	2:ZN1:ZN

Source organism

Caenorhabditis elegans

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chemcal Shifts

¹H: 233, ¹³C: 44, ¹⁵N: 44 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	26	GLU	H	H	8.478	0.004	1
2	1	26	GLU	HA	H	4.176	0.003	1
3	1	26	GLU	HB2	H	1.877	0.006	2
4	1	26	GLU	HB3	H	1.877	0.006	2
5	1	26	GLU	HG2	H	2.229	0.001	2
6	1	26	GLU	HG3	H	2.229	0.001	2
7	1	26	GLU	CA	C	54.353	0.062	1
8	1	26	GLU	N	N	121.931	0.192	1
9	1	27	LYS	H	H	8.063	0.002	1
10	1	27	LYS	HA	H	4.969	0.008	1
11	1	27	LYS	HB2	H	1.799	0.007	2
12	1	27	LYS	HB3	H	1.435	0.003	2
13	1	27	LYS	HG2	H	1.035	0.006	2
14	1	27	LYS	HG3	H	1.035	0.006	2
15	1	27	LYS	HD2	H	1.56	0.003	2
16	1	27	LYS	HD3	H	1.56	0.003	2
17	1	27	LYS	HE2	H	2.961	0.003	2
18	1	27	LYS	HE3	H	2.961	0.003	2
19	1	27	LYS	CA	C	52.819	0.046	1
20	1	27	LYS	N	N	121.856	0.07	1
21	1	28	TYR	H	H	8.563	0.026	1
22	1	28	TYR	HA	H	4.598	0.005	1
23	1	28	TYR	HB2	H	2.626	0.004	2
24	1	28	TYR	HB3	H	3.122	0.01	2
25	1	28	TYR	HD1	H	6.848	0.002	3
26	1	28	TYR	HD2	H	6.848	0.002	3
27	1	28	TYR	HE1	H	6.701	0.002	3
28	1	28	TYR	HE2	H	6.701	0.002	3
29	1	28	TYR	CA	C	55.302	0.056	1
30	1	28	TYR	N	N	119.006	0.077	1
31	1	29	CYS	H	H	7.656	0.002	1
32	1	29	CYS	HA	H	4.101	0.003	1
33	1	29	CYS	HB2	H	2.846	0.006	2
34	1	29	CYS	HB3	H	3.251	0.001	2
35	1	29	CYS	CA	C	56.143	0.009	1
36	1	29	CYS	N	N	116.444	0.083	1
37	1	30	CYS	H	H	7.351	0.003	1
38	1	30	CYS	HA	H	4.525	0.015	1
39	1	30	CYS	HB2	H	3.104	0.004	2
40	1	30	CYS	HB3	H	2.924	0.008	2
41	1	30	CYS	CA	C	54.778	0.004	1
42	1	30	CYS	N	N	113.008	0.203	1
43	1	31	GLU	H	H	9.073	0.004	1
44	1	31	GLU	HA	H	4.421	0.007	1
45	1	31	GLU	HB2	H	1.957	0.004	2
46	1	31	GLU	HB3	H	1.733	0.005	2
47	1	31	GLU	HG2	H	2.179	0.009	2
48	1	31	GLU	HG3	H	2.179	0.009	2
49	1	31	GLU	CA	C	56.968	0.023	1
50	1	31	GLU	N	N	120.288	0.077	1
51	1	32	GLU	H	H	8.768	0.003	1
52	1	32	GLU	HA	H	4.034	0.005	1
53	1	32	GLU	HB2	H	2.168	0.008	2
54	1	32	GLU	HB3	H	1.984	0.004	2
55	1	32	GLU	HG2	H	2.398	0.001	2
56	1	32	GLU	HG3	H	2.347	0.009	2
57	1	32	GLU	CA	C	58.121	0.007	1
58	1	32	GLU	N	N	123.008	0.107	1
59	1	33	ALA	H	H	8.974	0.003	1
60	1	33	ALA	HA	H	4.786	0.007	1
61	1	33	ALA	HB1	H	1.833	0.003	1
62	1	33	ALA	HB2	H	1.833	0.003	1
63	1	33	ALA	HB3	H	1.833	0.003	1
64	1	33	ALA	CA	C	54.355	0.007	1
65	1	33	ALA	N	N	126.499	0.078	1
66	1	34	SER	H	H	7.393	0.004	1
67	1	34	SER	HA	H	2.204	0.003	1
68	1	34	SER	HB2	H	3.826	0.004	2
69	1	34	SER	HB3	H	3.508	0.004	2
70	1	34	SER	CA	C	58.263	0.012	1
71	1	34	SER	N	N	113.691	0.126	1
72	1	35	GLU	H	H	7.208	0.003	1
73	1	35	GLU	HA	H	4.354	0.009	1
74	1	35	GLU	HB2	H	2.023	0.013	2
75	1	35	GLU	HB3	H	2.023	0.013	2
76	1	35	GLU	HG2	H	2.23	0.01	2
77	1	35	GLU	HG3	H	2.23	0.01	2
78	1	35	GLU	CA	C	55.653	0.028	1
79	1	35	GLU	N	N	121.34	0.092	1
80	1	36	LYS	H	H	8.895	0.002	1
81	1	36	LYS	HA	H	4.118	0.004	1
82	1	36	LYS	HB2	H	2.014	0	2
83	1	36	LYS	HB3	H	1.773	0	2
84	1	36	LYS	HG2	H	1.414	0.011	2
85	1	36	LYS	HG3	H	1.414	0.011	2
86	1	36	LYS	HD2	H	1.58	0.004	2
87	1	36	LYS	HD3	H	1.58	0.004	2
88	1	36	LYS	CA	C	54.772	0.034	1
89	1	36	LYS	N	N	117.096	0.309	1
90	1	37	LYS	H	H	8.78	0.003	1
91	1	37	LYS	HA	H	4.218	0.003	1
92	1	37	LYS	HB2	H	2.13	0.009	2
93	1	37	LYS	HB3	H	1.988	0.006	2
94	1	37	LYS	HG2	H	1.362	0	2
95	1	37	LYS	HG3	H	1.362	0	2
96	1	37	LYS	HD2	H	1.175	0	2
97	1	37	LYS	HD3	H	1.175	0	2
98	1	37	LYS	CA	C	53.761	0.001	1
99	1	37	LYS	N	N	114.745	0.126	1
100	1	38	CYS	H	H	7.415	0.004	1
101	1	38	CYS	HA	H	4.313	0.027	1
102	1	38	CYS	HB2	H	2.932	0.007	2
103	1	38	CYS	HB3	H	2.772	0.002	2
104	1	38	CYS	CA	C	55.741	0.034	1
105	1	38	CYS	N	N	115.96	0.174	1
106	1	39	CYS	H	H	7.144	0.001	1
107	1	39	CYS	HA	H	4.959	0.002	1
108	1	39	CYS	HB2	H	3.239	0.004	2
109	1	39	CYS	HB3	H	2.949	0.007	2
110	1	39	CYS	CA	C	53.974	0	1
111	1	39	CYS	N	N	119.791	0.19	1
112	1	40	PRO	HA	H	4.49	0.002	1
113	1	40	PRO	HB2	H	2.232	0.003	2
114	1	40	PRO	HB3	H	2.232	0.003	2
115	1	40	PRO	HG2	H	1.992	0.003	2
116	1	40	PRO	HG3	H	1.9	0.003	2
117	1	40	PRO	HD2	H	3.777	0.011	2
118	1	40	PRO	HD3	H	3.654	0.008	2
119	1	40	PRO	CA	C	60.154	0.017	1
120	1	41	ALA	H	H	8.187	0.003	1
121	1	41	ALA	HA	H	3.332	0.003	1
122	1	41	ALA	HB1	H	1.014	0.002	1
123	1	41	ALA	HB2	H	1.014	0.002	1
124	1	41	ALA	HB3	H	1.014	0.002	1
125	1	41	ALA	CA	C	51.074	0.016	1
126	1	41	ALA	N	N	122.735	0.145	1
127	1	42	GLY	H	H	9.267	0.002	1
128	1	42	GLY	HA2	H	4.08	0.01	2
129	1	42	GLY	HA3	H	3.273	0.022	2
130	1	42	GLY	CA	C	42.388	0.022	1
131	1	42	GLY	N	N	112.762	0.163	1
132	1	43	CYS	H	H	7.458	0.003	1
133	1	43	CYS	HA	H	3.917	0.006	1
134	1	43	CYS	HB2	H	3.256	0.004	2
135	1	43	CYS	HB3	H	2.828	0.008	2
136	1	43	CYS	CA	C	59.34	0.009	1
137	1	43	CYS	N	N	122.572	0.144	1
138	1	44	LYS	H	H	8.696	0.016	1
139	1	44	LYS	HA	H	4.199	0.02	1
140	1	44	LYS	HB2	H	1.873	0.011	2
141	1	44	LYS	HB3	H	1.661	0.022	2
142	1	44	LYS	HG2	H	1.543	0.125	2
143	1	44	LYS	HG3	H	1.543	0.125	2
144	1	44	LYS	HD2	H	1.542	0	2
145	1	44	LYS	HD3	H	1.542	0	2
146	1	44	LYS	CA	C	54.112	0.002	1
147	1	44	LYS	N	N	127.691	0.156	1
148	1	45	GLY	H	H	9.364	0.003	1
149	1	45	GLY	HA2	H	4.235	0.008	2
150	1	45	GLY	HA3	H	3.816	0.006	2
151	1	45	GLY	CA	C	44.191	0.005	1
152	1	45	GLY	N	N	110.024	0.229	1
153	1	46	ASP	H	H	8.375	0.002	1
154	1	46	ASP	HA	H	4.947	0.005	1
155	1	46	ASP	HB2	H	2.73	0.004	2
156	1	46	ASP	HB3	H	2.511	0.005	2
157	1	46	ASP	CA	C	50.423	0.032	1
158	1	46	ASP	N	N	120.626	0.078	1
159	1	47	CYS	H	H	7.966	0.003	1
160	1	47	CYS	HA	H	4.122	0.01	1
161	1	47	CYS	HB2	H	3.203	0.001	2
162	1	47	CYS	HB3	H	2.782	0.015	2
163	1	47	CYS	CA	C	54.163	0.049	1
164	1	47	CYS	N	N	119.171	0.083	1
165	1	48	LYS	H	H	8.147	0.003	1
166	1	48	LYS	HA	H	4.031	0.003	1
167	1	48	LYS	HB2	H	1.895	0	2
168	1	48	LYS	HB3	H	1.851	0	2
169	1	48	LYS	HG2	H	1.343	0.004	2
170	1	48	LYS	HG3	H	1.343	0.004	2
171	1	48	LYS	HE2	H	2.759	0.008	2
172	1	48	LYS	HE3	H	2.759	0.008	2
173	1	48	LYS	CA	C	55.273	0.04	1
174	1	48	LYS	N	N	122.511	0.176	1
175	1	49	CYS	H	H	7.318	0.004	1
176	1	49	CYS	HA	H	4.027	0	1
177	1	49	CYS	HB2	H	3.321	0.012	2
178	1	49	CYS	HB3	H	3.321	0.012	2
179	1	49	CYS	CA	C	58.271	0.012	1
180	1	49	CYS	N	N	119.958	0.229	1
181	1	50	ALA	H	H	9.133	0.002	1
182	1	50	ALA	HA	H	4.249	0.002	1
183	1	50	ALA	HB1	H	1.523	0.005	1
184	1	50	ALA	HB2	H	1.523	0.005	1
185	1	50	ALA	HB3	H	1.523	0.005	1
186	1	50	ALA	CA	C	52.566	0.023	1
187	1	50	ALA	N	N	131.9	0.117	1
188	1	51	ASN	H	H	9.005	0.004	1
189	1	51	ASN	HA	H	4.775	0.011	1
190	1	51	ASN	HB2	H	2.784	0.005	2
191	1	51	ASN	HB3	H	2.551	0.004	2
192	1	51	ASN	HD21	H	7.57	0.001	2
193	1	51	ASN	HD22	H	7.049	0.006	2
194	1	51	ASN	CA	C	53.787	0.064	1
195	1	51	ASN	N	N	117.098	0.303	1
196	1	51	ASN	ND2	N	113.627	0.154	1
197	1	52	CYS	H	H	8.787	0.003	1
198	1	52	CYS	HA	H	4.402	0.005	1
199	1	52	CYS	HB2	H	3.543	0.022	2
200	1	52	CYS	HB3	H	2.908	0.015	2
201	1	52	CYS	CA	C	57.329	0.026	1
202	1	52	CYS	N	N	117.927	0.108	1
203	1	53	HIS	H	H	7.573	0.004	1
204	1	53	HIS	HA	H	4.609	0.004	1
205	1	53	HIS	HB2	H	3.624	0.004	2
206	1	53	HIS	HB3	H	3.473	0.004	2
207	1	53	HIS	HD2	H	7.139	0.002	1
208	1	53	HIS	HE1	H	7.47	0.003	1
209	1	53	HIS	CA	C	52.822	0.008	1
210	1	53	HIS	N	N	113.461	0.216	1
211	1	54	CYS	H	H	7.308	0.006	1
212	1	54	CYS	HA	H	4.224	0.004	1
213	1	54	CYS	HB2	H	2.744	0.011	2
214	1	54	CYS	HB3	H	2.689	0.004	2
215	1	54	CYS	CA	C	61.791	0.022	1
216	1	54	CYS	N	N	122.794	0.132	1
217	1	55	ALA	H	H	8.111	0.004	1
218	1	55	ALA	HA	H	4.333	0.01	1
219	1	55	ALA	HB1	H	1.349	0.002	1
220	1	55	ALA	HB2	H	1.349	0.002	1
221	1	55	ALA	HB3	H	1.349	0.002	1
222	1	55	ALA	CA	C	51.155	0.018	1
223	1	55	ALA	N	N	120.341	0.111	1
224	1	56	GLU	H	H	9.524	0.002	1
225	1	56	GLU	HA	H	3.838	0.004	1
226	1	56	GLU	HB2	H	2.167	0.006	2
227	1	56	GLU	HB3	H	2.167	0.006	2
228	1	56	GLU	HG2	H	2.041	0.004	1
229	1	56	GLU	HG3	H	2.041	0.004	1
230	1	56	GLU	CA	C	55.034	0.006	1
231	1	56	GLU	N	N	117.983	0.13	1
232	1	57	GLN	H	H	7.905	0.005	1
233	1	57	GLN	HA	H	3.689	0.006	1
234	1	57	GLN	HB2	H	2.14	0.005	2
235	1	57	GLN	HB3	H	2.14	0.005	2
236	1	57	GLN	HG2	H	2.333	0.012	2
237	1	57	GLN	HG3	H	2.333	0.012	2
238	1	57	GLN	HE21	H	7.484	0.002	2
239	1	57	GLN	HE22	H	6.706	0.001	2
240	1	57	GLN	CA	C	55.54	0.057	1
241	1	57	GLN	N	N	107.114	0.127	1
242	1	57	GLN	NE2	N	110.688	0.048	1
243	1	58	LYS	H	H	7.974	0.01	1
244	1	58	LYS	HA	H	4.679	0.004	1
245	1	58	LYS	HB2	H	1.91	0.002	2
246	1	58	LYS	HB3	H	1.803	0.004	2
247	1	58	LYS	HG2	H	1.474	0.005	2
248	1	58	LYS	HG3	H	1.474	0.005	2
249	1	58	LYS	CA	C	52.783	0.039	1
250	1	58	LYS	N	N	119.33	0.354	1
251	1	59	GLN	H	H	8.167	0.004	1
252	1	59	GLN	HA	H	4.814	0.007	1
253	1	59	GLN	HB2	H	2.144	0.003	2
254	1	59	GLN	HB3	H	1.897	0.002	2
255	1	59	GLN	HG2	H	2.444	0.004	2
256	1	59	GLN	HG3	H	2.444	0.004	2
257	1	59	GLN	HE21	H	7.137	0.001	2
258	1	59	GLN	HE22	H	7.7	0	2
259	1	59	GLN	CA	C	53.343	0.083	1
260	1	59	GLN	N	N	119.179	0.182	1
261	1	59	GLN	NE2	N	112.977	0.003	1
262	1	60	CYS	H	H	9.318	0.003	1
263	1	60	CYS	HA	H	4.073	0.006	1
264	1	60	CYS	HB2	H	2.947	0.002	2
265	1	60	CYS	HB3	H	2.645	0.003	2
266	1	60	CYS	CA	C	58.767	0.007	1
267	1	60	CYS	N	N	125.36	0.056	1
268	1	61	GLY	H	H	8.844	0.005	1
269	1	61	GLY	HA2	H	3.906	0.241	2
270	1	61	GLY	HA3	H	3.906	0.241	2
271	1	61	GLY	CA	C	42.433	0.013	1
272	1	61	GLY	N	N	116.847	0.669	1
273	1	62	ASP	H	H	8.195	0.003	1
274	1	62	ASP	HA	H	4.415	0.003	1
275	1	62	ASP	HB2	H	1.937	0.009	2
276	1	62	ASP	HB3	H	1.895	0.003	2
277	1	62	ASP	CA	C	52.129	0.011	1
278	1	62	ASP	N	N	122.867	0.208	1
279	1	63	LYS	H	H	8.887	0.004	1
280	1	63	LYS	CA	C	55.597	0.017	1
281	1	63	LYS	N	N	128.887	0.044	1
282	1	64	THR	H	H	8.871	0.003	1
283	1	64	THR	HA	H	4.715	0.01	1
284	1	64	THR	HB	H	4.345	0.002	1
285	1	64	THR	HG21	H	1.22	0.032	1
286	1	64	THR	HG22	H	1.22	0.032	1
287	1	64	THR	HG23	H	1.22	0.032	1
288	1	64	THR	CA	C	61.131	0.029	1
289	1	64	THR	N	N	110.851	0.13	1
290	1	65	HIS	H	H	7.504	0.003	1
291	1	65	HIS	HA	H	4.576	0.006	1
292	1	65	HIS	HB2	H	3.154	0.005	2
293	1	65	HIS	HB3	H	2.629	0.008	2
294	1	65	HIS	HD2	H	6.751	0.003	1
295	1	65	HIS	HE1	H	7.824	0.003	1
296	1	65	HIS	HE2	H	6.037	0.001	1
297	1	65	HIS	CA	C	52.012	0	1
298	1	65	HIS	N	N	120.745	0.088	1
299	1	67	HIS	HA	H	4.569	0.001	1
300	1	67	HIS	HB2	H	3.296	0.003	2
301	1	67	HIS	HB3	H	3.051	0.001	2
302	1	67	HIS	HD2	H	7.103	0.002	1
303	1	67	HIS	HE1	H	7.255	0.01	1
304	1	67	HIS	CA	C	54.438	0	1
305	1	68	GLN	H	H	8.058	0.004	1
306	1	68	GLN	HA	H	4.203	0.089	1
307	1	68	GLN	HB2	H	2.008	0	2
308	1	68	GLN	HB3	H	1.894	0	2
309	1	68	GLN	HG2	H	2.244	0	2
310	1	68	GLN	HG3	H	2.209	0	2
311	1	68	GLN	CA	C	56.117	0	1
312	1	68	GLN	N	N	127.643	0.111	1
313	1	73	ALA	CA	C	50.248	0	1
314	1	74	HIS	H	H	7.725	0.017	1
315	1	74	HIS	HA	H	4.374	0.002	1
316	1	74	HIS	HB2	H	3.104	0	2
317	1	74	HIS	HB3	H	2.982	0.001	2
318	1	74	HIS	HD2	H	6.95	0	1
319	1	74	HIS	HE1	H	7.861	0	1
320	1	74	HIS	CA	C	55.305	0	1
321	1	74	HIS	N	N	123.789	0.216	1

Release date

2022-10-25

Citation

Metallothionein-mediated metal trafficking in the nematode C. elegans: dissection of structural and functional differentiation
Essig, Y.J., Leszczyszyn, O.I., Almutairi, N., Harrison-Smith, A., Blease, A., Zeitoun-Ghandour, S., Webb, S.M., Blindauer, C.A., Sturzenbaum, S.R.

Related entities 1. Metallothionein-1, entity 1, : 2 entities Detail

Interaction partners 1. Metallothionein-1, entity 1, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 7 experiments Detail

1 2D NOESY

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 303 K, pH 7.3, Details 1 mM Zn7MTL-1, 20 mM ammonium hydrogen carbonate, 20 mM nat sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Zn7MTL-1	natural abundance	1 mM
2	ammonium hydrogen carbonate	natural abundance	20 mM
3	sodium chloride	nat	20 mM

2 2D TOCSY

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Zn7MTL-1	natural abundance	1 mM
2	ammonium hydrogen carbonate	natural abundance	20 mM
3	sodium chloride	nat	20 mM

3 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 303 K, pH 7.3, Details 0.5 mM [U-13C; U-15N] Zn7MTL-1, 25 mM ammonium hydrogen carbonate, 25 mM sodium chloride, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	Zn7MTL-1	[U-13C; U-15N]	0.5 mM
5	ammonium hydrogen carbonate	natural abundance	25 mM
6	sodium chloride	natural abundance	25 mM

4 3D 1H-15N TOCSY

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Zn7MTL-1	[U-13C; U-15N]	0.5 mM
5	ammonium hydrogen carbonate	natural abundance	25 mM
6	sodium chloride	natural abundance	25 mM

5 3D HNHA

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Zn7MTL-1	[U-13C; U-15N]	0.5 mM
5	ammonium hydrogen carbonate	natural abundance	25 mM
6	sodium chloride	natural abundance	25 mM

6 3D HNCA

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Zn7MTL-1	[U-13C; U-15N]	0.5 mM
5	ammonium hydrogen carbonate	natural abundance	25 mM
6	sodium chloride	natural abundance	25 mM

7 3D HN(CO)CA

Instrument

Bruker AVANCE - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Zn7MTL-1	[U-13C; U-15N]	0.5 mM
5	ammonium hydrogen carbonate	natural abundance	25 mM
6	sodium chloride	natural abundance	25 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34749_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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:43:CYS:SG	2:1:ZN:ZN	unknown, CA 59.34 ppm	unknown	n/a
1:47:CYS:SG	3:1:ZN:ZN	unknown, CA 54.163 ppm	unknown	n/a
1:52:CYS:SG	4:1:ZN:ZN	unknown, CA 57.329 ppm	unknown	n/a
1:53:HIS:ND1	5:1:ZN:ZN	unknown	unknown	n/a
1:54:CYS:SG	3:1:ZN:ZN	unknown, CA 61.791 ppm	unknown	n/a
1:60:CYS:SG	5:1:ZN:ZN	unknown, CA 58.767 ppm	unknown	n/a
1:65:HIS:ND1	5:1:ZN:ZN	unknown	unknown	n/a
1:67:HIS:NE2	5:1:ZN:ZN	unknown	unknown	n/a

Non-standard residues

None

Content subtype: bmr34749_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	321		59.5 (chain: 1, length: 74)
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: 74, Sequence coverage: 59.5%
- Total number of assignments
  - ¹H chemical shifts: 233
  - ¹³C chemical shifts: 44
  - ¹⁵N chemical shifts: 44
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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)
65	HIS	HE2	6.037

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	411	222	54.0
¹³C chemical shifts	282	44	15.6
¹⁵N chemical shifts	80	44	55.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	153	86	56.2
¹³C chemical shifts	148	44	29.7
¹⁵N chemical shifts	73	41	56.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	258	136	52.7
¹³C chemical shifts	134	0	0.0
¹⁵N chemical shifts	7	3	42.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	10	5	50.0
¹³C chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	12	12	100.0
¹³C chemical shifts	12	0	0.0

Keywords METAL BINDING PROTEIN, STRUCTURE FROM CYANA 2.1 Metallothionein Zinc C. elegans

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Found 1 Document (0.45 seconds)

BMRB: 34749

Related entities 1. Metallothionein-1, entity 1, : 2 entities Detail

Interaction partners 1. Metallothionein-1, entity 1, : 2 interactors Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 4 contents Detail