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BMRB: 31267

Solution Structure of the Beta Domain of Human MT1A Bound to 6 Cu(I) Ions

Authors

Melenbacher, A., Rintala-Dempsey, A.C., Shaw, G.S., Stillman, M.J.

Assembly

Metallothionein-1A

Entity

1. Metallothionein-1A, entity 1 (polymer, Thiol state: all other bound), 90 monomers, 9572.638 Da Detail

GPMQYKLALN GKTLKGETTT EAVDAATAEK VFKQYANDNG VDGEWTYDDA TKTFTVTEMD PNCSCATGGS CTCTGSCKCK ECKCTSCKKS

2. Metallothionein-1A, entity CU1 (non-polymer), 63.546 × 6 Da

Total weight

9953.914 Da

Max. entity weight

9572.638 Da

Entity Connection

na 17 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS63:SG	2:CU11:CU
2	na	sing	1:CYS63:SG	2:CU11:CU
3	na	sing	1:CYS65:SG	2:CU11:CU
4	na	sing	1:CYS65:SG	2:CU11:CU
5	na	sing	1:CYS71:SG	2:CU11:CU
6	na	sing	1:CYS71:SG	2:CU11:CU
7	na	sing	1:CYS73:SG	2:CU11:CU
8	na	sing	1:CYS77:SG	2:CU11:CU
9	na	sing	1:CYS77:SG	2:CU11:CU
10	na	sing	1:CYS79:O	2:CU11:CU
11	na	sing	1:CYS79:SG	2:CU11:CU
12	na	sing	1:CYS79:SG	2:CU11:CU
13	na	sing	1:CYS82:SG	2:CU11:CU
14	na	sing	1:CYS82:SG	2:CU11:CU
15	na	sing	1:CYS84:SG	2:CU11:CU
16	na	sing	1:CYS87:SG	2:CU11:CU
17	na	sing	1:CYS87:SG	2:CU11:CU

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 172, ¹³C: 82, ¹⁵N: 32 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Ambig. code
1	1	59	MET	H	H	8.7700	1
2	1	59	MET	HA	H	4.5940	1
3	1	59	MET	HB2	H	2.0770	2
4	1	59	MET	HB3	H	1.9740	2
5	1	59	MET	HG2	H	2.5980	2
6	1	59	MET	HG3	H	2.5380	2
7	1	59	MET	CA	C	54.4617	1
8	1	59	MET	CB	C	33.8173	1
9	1	59	MET	CG	C	31.7190	1
10	1	59	MET	N	N	123.9740	1
11	1	60	ASP	H	H	8.6720	1
12	1	60	ASP	HA	H	4.8400	1
13	1	60	ASP	HB2	H	2.7780	2
14	1	60	ASP	HB3	H	2.3420	2
15	1	60	ASP	CA	C	52.5779	1
16	1	60	ASP	CB	C	40.7221	1
17	1	60	ASP	N	N	123.5860	1
18	1	61	PRO	HA	H	4.3660	1
19	1	61	PRO	HB2	H	2.2860	2
20	1	61	PRO	HB3	H	1.9710	2
21	1	61	PRO	HG2	H	2.0410	2
22	1	61	PRO	HG3	H	1.9210	2
23	1	61	PRO	HD2	H	3.7870	2
24	1	61	PRO	HD3	H	3.8320	2
25	1	61	PRO	CA	C	63.0891	1
26	1	61	PRO	CB	C	32.1853	1
27	1	61	PRO	CG	C	27.0210	1
28	1	61	PRO	CD	C	50.4270	1
29	1	62	ASN	H	H	8.5660	1
30	1	62	ASN	HA	H	4.5980	1
31	1	62	ASN	HB2	H	2.7070	2
32	1	62	ASN	HB3	H	2.6822	2
33	1	62	ASN	HD21	H	7.7130	2
34	1	62	ASN	HD22	H	6.9810	2
35	1	62	ASN	CA	C	53.2572	1
36	1	62	ASN	CB	C	39.2097	1
37	1	62	ASN	N	N	119.9270	1
38	1	62	ASN	ND2	N	113.8200	1
39	1	63	CYS	H	H	8.3130	1
40	1	63	CYS	HA	H	4.4010	1
41	1	63	CYS	HB2	H	3.1420	2
42	1	63	CYS	HB3	H	3.0710	2
43	1	63	CYS	CA	C	59.8472	1
44	1	63	CYS	CB	C	36.6027	1
45	1	63	CYS	N	N	124.5500	1
46	1	64	SER	H	H	9.1140	1
47	1	64	SER	HA	H	4.9240	1
48	1	64	SER	HB2	H	4.0010	2
49	1	64	SER	HB3	H	3.8850	2
50	1	64	SER	CA	C	57.3337	1
51	1	64	SER	CB	C	63.1239	1
52	1	64	SER	N	N	125.4140	1
53	1	65	CYS	H	H	9.4890	1
54	1	65	CYS	HA	H	4.5930	1
55	1	65	CYS	HB2	H	3.3450	2
56	1	65	CYS	HB3	H	2.7420	2
57	1	65	CYS	CA	C	61.6010	1
58	1	65	CYS	CB	C	34.8097	1
59	1	65	CYS	N	N	127.9040	1
60	1	66	ALA	H	H	8.4950	1
61	1	66	ALA	HA	H	4.2390	1
62	1	66	ALA	HB1	H	1.5660	1
63	1	66	ALA	HB2	H	1.5660	1
64	1	66	ALA	HB3	H	1.5660	1
65	1	66	ALA	CA	C	60.9531	1
66	1	66	ALA	CB	C	19.9200	1
67	1	66	ALA	N	N	125.6380	1
68	1	67	THR	H	H	7.7650	1
69	1	67	THR	HA	H	4.5960	1
70	1	67	THR	HG21	H	1.1110	1
71	1	67	THR	HG22	H	1.1110	1
72	1	67	THR	HG23	H	1.1110	1
73	1	67	THR	CA	C	59.8950	1
74	1	67	THR	CB	C	68.1768	1
75	1	67	THR	CG2	C	21.4620	1
76	1	67	THR	N	N	105.9880	1
77	1	68	GLY	H	H	7.6180	1
78	1	68	GLY	HA2	H	4.3630	2
79	1	68	GLY	HA3	H	3.7330	2
80	1	68	GLY	CA	C	45.2896	1
81	1	68	GLY	N	N	108.0870	1
82	1	69	GLY	H	H	7.8690	1
83	1	69	GLY	HA2	H	4.1260	2
84	1	69	GLY	HA3	H	3.6500	2
85	1	69	GLY	CA	C	43.9027	1
86	1	69	GLY	N	N	109.1800	1
87	1	70	SER	H	H	8.3900	1
88	1	70	SER	HA	H	4.2780	1
89	1	70	SER	HB2	H	3.7610	2
90	1	70	SER	HB3	H	3.6880	2
91	1	70	SER	CA	C	58.3918	1
92	1	70	SER	CB	C	63.2916	1
93	1	70	SER	N	N	115.3140	1
94	1	71	CYS	H	H	8.8070	1
95	1	71	CYS	HA	H	5.3820	1
96	1	71	CYS	HB2	H	2.9510	2
97	1	71	CYS	HB3	H	2.7350	2
98	1	71	CYS	CA	C	58.4470	1
99	1	71	CYS	CB	C	34.9871	1
100	1	71	CYS	N	N	126.5210	1
101	1	72	THR	H	H	7.8910	1
102	1	72	THR	HA	H	4.5010	1
103	1	72	THR	HB	H	4.6610	1
104	1	72	THR	HG21	H	1.1970	1
105	1	72	THR	HG22	H	1.1970	1
106	1	72	THR	HG23	H	1.1970	1
107	1	72	THR	CA	C	60.7162	1
108	1	72	THR	CB	C	68.4853	1
109	1	72	THR	CG2	C	21.2630	1
110	1	72	THR	N	N	121.5910	1
111	1	73	CYS	H	H	9.1960	1
112	1	73	CYS	HA	H	4.2210	1
113	1	73	CYS	HB2	H	3.1110	2
114	1	73	CYS	HB3	H	2.7260	2
115	1	73	CYS	CA	C	61.0496	1
116	1	73	CYS	CB	C	33.7861	1
117	1	73	CYS	N	N	128.8870	1
118	1	74	THR	H	H	8.7130	1
119	1	74	THR	HA	H	4.3350	1
120	1	74	THR	HB	H	4.3350	1
121	1	74	THR	HG21	H	1.1470	1
122	1	74	THR	HG22	H	1.1470	1
123	1	74	THR	HG23	H	1.1470	1
124	1	74	THR	CA	C	61.1145	1
125	1	74	THR	CB	C	69.1953	1
126	1	74	THR	CG2	C	21.3850	1
127	1	74	THR	N	N	115.4220	1
128	1	75	GLY	H	H	8.5210	1
129	1	75	GLY	HA2	H	4.1980	2
130	1	75	GLY	HA3	H	3.7240	2
131	1	75	GLY	CA	C	45.6973	1
132	1	75	GLY	N	N	111.6700	1
133	1	76	SER	H	H	7.9070	1
134	1	76	SER	HA	H	4.4700	1
135	1	76	SER	HB2	H	3.7870	2
136	1	76	SER	HB3	H	3.6870	2
137	1	76	SER	CA	C	56.7756	1
138	1	76	SER	CB	C	63.5375	1
139	1	76	SER	N	N	116.3600	1
140	1	77	CYS	H	H	8.3970	1
141	1	77	CYS	HA	H	4.6280	1
142	1	77	CYS	HB2	H	3.1320	2
143	1	77	CYS	HB3	H	2.8060	2
144	1	77	CYS	CA	C	60.0873	1
145	1	77	CYS	CB	C	36.2096	1
146	1	77	CYS	N	N	124.4120	1
147	1	78	LYS	H	H	9.1120	1
148	1	78	LYS	HA	H	4.6320	1
149	1	78	LYS	HB2	H	2.0880	2
150	1	78	LYS	HB3	H	1.6320	2
151	1	78	LYS	HG2	H	1.4300	2
152	1	78	LYS	HG3	H	1.4300	2
153	1	78	LYS	HD2	H	1.6430	2
154	1	78	LYS	HD3	H	1.6430	2
155	1	78	LYS	HE2	H	2.9430	2
156	1	78	LYS	HE3	H	2.9430	2
157	1	78	LYS	CA	C	54.7863	1
158	1	78	LYS	CB	C	32.4782	1
159	1	78	LYS	CG	C	24.4240	1
160	1	78	LYS	CD	C	28.5800	1
161	1	78	LYS	N	N	129.6690	1
162	1	79	CYS	H	H	8.7980	1
163	1	79	CYS	HA	H	3.9820	1
164	1	79	CYS	HB2	H	2.8980	2
165	1	79	CYS	HB3	H	2.7350	2
166	1	79	CYS	CA	C	61.3836	1
167	1	79	CYS	CB	C	35.1897	1
168	1	79	CYS	N	N	124.6810	1
169	1	80	LYS	H	H	8.7840	1
170	1	80	LYS	HA	H	4.0020	1
171	1	80	LYS	HB2	H	1.8060	2
172	1	80	LYS	HB3	H	1.7900	2
173	1	80	LYS	HG2	H	1.4460	2
174	1	80	LYS	HG3	H	1.4460	2
175	1	80	LYS	HD2	H	1.5560	2
176	1	80	LYS	HD3	H	1.5560	2
177	1	80	LYS	HE2	H	3.0140	2
178	1	80	LYS	HE3	H	3.0140	2
179	1	80	LYS	CA	C	58.4147	1
180	1	80	LYS	CB	C	32.5158	1
181	1	80	LYS	CG	C	25.1470	1
182	1	80	LYS	CD	C	28.8490	1
183	1	80	LYS	N	N	126.2880	1
184	1	81	GLU	H	H	8.3570	1
185	1	81	GLU	HA	H	4.3090	1
186	1	81	GLU	HB2	H	1.7380	2
187	1	81	GLU	HB3	H	1.9460	2
188	1	81	GLU	HG2	H	2.0540	2
189	1	81	GLU	HG3	H	2.0540	2
190	1	81	GLU	CA	C	54.4320	1
191	1	81	GLU	CB	C	29.8214	1
192	1	81	GLU	CG	C	36.3130	1
193	1	81	GLU	N	N	119.6300	1
194	1	82	CYS	H	H	7.6610	1
195	1	82	CYS	HA	H	4.4710	1
196	1	82	CYS	HB2	H	2.8800	2
197	1	82	CYS	HB3	H	2.8030	2
198	1	82	CYS	CA	C	59.0521	1
199	1	82	CYS	CB	C	35.7337	1
200	1	82	CYS	N	N	120.9640	1
201	1	83	LYS	H	H	7.5500	1
202	1	83	LYS	HA	H	4.6100	1
203	1	83	LYS	HB2	H	2.1130	2
204	1	83	LYS	HB3	H	1.8770	2
205	1	83	LYS	HG2	H	1.4480	2
206	1	83	LYS	HG3	H	1.4480	2
207	1	83	LYS	HD2	H	1.6880	2
208	1	83	LYS	HD3	H	1.6880	2
209	1	83	LYS	HE2	H	2.9820	2
210	1	83	LYS	HE3	H	2.9820	2
211	1	83	LYS	CA	C	55.2438	1
212	1	83	LYS	CB	C	32.7861	1
213	1	83	LYS	CG	C	25.3220	1
214	1	83	LYS	CD	C	28.5690	1
215	1	83	LYS	CE	C	42.4580	1
216	1	83	LYS	N	N	131.7420	1
217	1	84	CYS	H	H	8.7290	1
218	1	84	CYS	HA	H	4.0390	1
219	1	84	CYS	HB2	H	3.0640	2
220	1	84	CYS	HB3	H	3.1680	2
221	1	84	CYS	CA	C	60.6372	1
222	1	84	CYS	CB	C	35.6515	1
223	1	84	CYS	N	N	124.4570	1
224	1	85	THR	H	H	8.7420	1
225	1	85	THR	HA	H	4.1010	1
226	1	85	THR	HB	H	4.1020	1
227	1	85	THR	HG21	H	1.2350	1
228	1	85	THR	HG22	H	1.2350	1
229	1	85	THR	HG23	H	1.2350	1
230	1	85	THR	CA	C	64.6252	1
231	1	85	THR	CB	C	68.7826	1
232	1	85	THR	CG2	C	22.1910	1
233	1	85	THR	N	N	118.1610	1
234	1	86	SER	H	H	8.1500	1
235	1	86	SER	HA	H	4.3930	1
236	1	86	SER	HB2	H	3.6900	2
237	1	86	SER	HB3	H	3.6290	2
238	1	86	SER	CA	C	57.0014	1
239	1	86	SER	CB	C	62.8956	1
240	1	86	SER	N	N	116.9290	1
241	1	87	CYS	H	H	8.6200	1
242	1	87	CYS	HA	H	4.3060	1
243	1	87	CYS	HB2	H	3.0550	2
244	1	87	CYS	HB3	H	2.8090	2
245	1	87	CYS	CA	C	60.7696	1
246	1	87	CYS	CB	C	37.0768	1
247	1	87	CYS	N	N	128.8400	1
248	1	88	LYS	H	H	8.4270	1
249	1	88	LYS	HA	H	4.2700	1
250	1	88	LYS	HB2	H	1.7460	2
251	1	88	LYS	HB3	H	1.7700	2
252	1	88	LYS	HG2	H	1.4470	2
253	1	88	LYS	HG3	H	1.4470	2
254	1	88	LYS	HD2	H	1.6700	2
255	1	88	LYS	HD3	H	1.6700	2
256	1	88	LYS	HE2	H	2.9830	2
257	1	88	LYS	HE3	H	2.9260	2
258	1	88	LYS	CA	C	56.9487	1
259	1	88	LYS	CB	C	32.4740	1
260	1	88	LYS	CG	C	24.6710	1
261	1	88	LYS	CD	C	29.2230	1
262	1	88	LYS	CE	C	41.8500	1
263	1	88	LYS	N	N	126.2090	1
264	1	89	LYS	H	H	8.4490	1
265	1	89	LYS	HA	H	4.5130	1
266	1	89	LYS	HB2	H	1.9440	2
267	1	89	LYS	HB3	H	1.7660	2
268	1	89	LYS	HG2	H	1.4700	2
269	1	89	LYS	HG3	H	1.4700	2
270	1	89	LYS	HD2	H	1.7460	2
271	1	89	LYS	HD3	H	1.7460	2
272	1	89	LYS	HE2	H	3.0580	2
273	1	89	LYS	HE3	H	3.0580	2
274	1	89	LYS	CA	C	55.8880	1
275	1	89	LYS	CB	C	33.6073	1
276	1	89	LYS	CG	C	24.6500	1
277	1	89	LYS	CD	C	28.9230	1
278	1	89	LYS	CE	C	42.3910	1
279	1	89	LYS	N	N	124.2670	1
280	1	90	SER	H	H	8.0560	1
281	1	90	SER	HA	H	4.2250	1
282	1	90	SER	HB2	H	3.8070	2
283	1	90	SER	HB3	H	3.8070	2
284	1	90	SER	CA	C	60.0538	1
285	1	90	SER	CB	C	64.6769	1
286	1	90	SER	N	N	121.9340	1

Release date

2026-01-08

Citation

The NMR structure of human Cu6-B MT1 reveals that the Cu6S9 binding site adopts a ladder structure not the closed prism structure of inorganic Cu(I)-thiolate compounds
Melenbacher, A., Rintala-Dempsey, A.C., Liu, L., Chang, L., Shaw, G.S., Stillman, M.J.

Related entities 1. Metallothionein-1A, entity 1, : 8 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.6, Details 440.7 uM [U-100% 13C; U-100% 15N] GB1BMT, 8.5 mM Ammonium formate, 0.9 mM TCEP, 2.6 mM [(CH3CN)4Cu]PF6, 0.5 mM DSS, 0.5 mM Imidazole, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	GB1BMT	[U-100% 13C; U-100% 15N]	440.7 (±10.0) uM
2	Ammonium formate	natural abundance	8.5 mM
3	TCEP	natural abundance	0.9 mM
4	[(CH3CN)4Cu]PF6	natural abundance	2.6 mM
5	DSS	natural abundance	0.5 mM
6	Imidazole	natural abundance	0.5 mM

2 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	GB1BMT	[U-100% 13C; U-100% 15N]	440.7 (±10.0) uM
2	Ammonium formate	natural abundance	8.5 mM
3	TCEP	natural abundance	0.9 mM
4	[(CH3CN)4Cu]PF6	natural abundance	2.6 mM
5	DSS	natural abundance	0.5 mM
6	Imidazole	natural abundance	0.5 mM

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	GB1BMT	[U-100% 13C; U-100% 15N]	440.7 (±10.0) uM
2	Ammonium formate	natural abundance	8.5 mM
3	TCEP	natural abundance	0.9 mM
4	[(CH3CN)4Cu]PF6	natural abundance	2.6 mM
5	DSS	natural abundance	0.5 mM
6	Imidazole	natural abundance	0.5 mM

4 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	GB1BMT	[U-100% 13C; U-100% 15N]	440.7 (±10.0) uM
2	Ammonium formate	natural abundance	8.5 mM
3	TCEP	natural abundance	0.9 mM
4	[(CH3CN)4Cu]PF6	natural abundance	2.6 mM
5	DSS	natural abundance	0.5 mM
6	Imidazole	natural abundance	0.5 mM

5 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	GB1BMT	[U-100% 13C; U-100% 15N]	440.7 (±10.0) uM
2	Ammonium formate	natural abundance	8.5 mM
3	TCEP	natural abundance	0.9 mM
4	[(CH3CN)4Cu]PF6	natural abundance	2.6 mM
5	DSS	natural abundance	0.5 mM
6	Imidazole	natural abundance	0.5 mM

6 2D 1H-15N HSQC

Instrument

Bruker AVANCE NEO - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 6.6, Details 237.9 uM [U-100% 13C; U-100% 15N] GB1BMT, 8.5 mM Ammonium formate, 0.9 mM TCEP, 1.4 mM [(CH3CN)4Cu]PF6, 0.5 mM DSS, 0.5 mM imidazole, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	GB1BMT	[U-100% 13C; U-100% 15N]	237.9 (±10.0) uM
8	Ammonium formate	natural abundance	8.5 mM
9	TCEP	natural abundance	0.9 mM
10	[(CH3CN)4Cu]PF6	natural abundance	1.4 mM
11	DSS	natural abundance	0.5 mM
12	imidazole	natural abundance	0.5 mM

7 3D 1H-15N NOESY

Instrument

Bruker AVANCE NEO - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
7	GB1BMT	[U-100% 13C; U-100% 15N]	237.9 (±10.0) uM
8	Ammonium formate	natural abundance	8.5 mM
9	TCEP	natural abundance	0.9 mM
10	[(CH3CN)4Cu]PF6	natural abundance	1.4 mM
11	DSS	natural abundance	0.5 mM
12	imidazole	natural abundance	0.5 mM

8 3D 1H-15N TOCSY

Instrument

Bruker AVANCE NEO - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
7	GB1BMT	[U-100% 13C; U-100% 15N]	237.9 (±10.0) uM
8	Ammonium formate	natural abundance	8.5 mM
9	TCEP	natural abundance	0.9 mM
10	[(CH3CN)4Cu]PF6	natural abundance	1.4 mM
11	DSS	natural abundance	0.5 mM
12	imidazole	natural abundance	0.5 mM

9 2D 1H-13C HSQC

Instrument

Bruker AVANCE NEO - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 6.6, Details 237.9 uM [U-100% 13C; U-100% 15N] GB1BMT, 0.9 mM TCEP, 1.4 mM [(CH3CN)4Cu]PF6, 0.5 mM DSS, 0.5 mM imidazole, 8.5 mM TRIS, 100% D2O

#	Name	Isotope labeling	Concentration
13	GB1BMT	[U-100% 13C; U-100% 15N]	237.9 (±10.0) uM
14	TCEP	natural abundance	0.9 mM
15	[(CH3CN)4Cu]PF6	natural abundance	1.4 mM
16	DSS	natural abundance	0.5 mM
17	imidazole	natural abundance	0.5 mM
18	TRIS	natural abundance	8.5 mM

10 3D 1H-13C NOESY

Instrument

Bruker AVANCE NEO - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
13	GB1BMT	[U-100% 13C; U-100% 15N]	237.9 (±10.0) uM
14	TCEP	natural abundance	0.9 mM
15	[(CH3CN)4Cu]PF6	natural abundance	1.4 mM
16	DSS	natural abundance	0.5 mM
17	imidazole	natural abundance	0.5 mM
18	TRIS	natural abundance	8.5 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr31267_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)
1:63:CYS:SG	5:1:CU1:CU	oxidized, CA 59.8472, CB 36.6027 ppm	unknown	n/a
1:63:CYS:SG	7:1:CU1:CU	oxidized, CA 59.8472, CB 36.6027 ppm	unknown	n/a
1:65:CYS:SG	3:1:CU1:CU	oxidized 53.9%, reduced 46.1%, CA 61.601, CB 34.8097 ppm	unknown	n/a
1:65:CYS:SG	7:1:CU1:CU	oxidized 53.9%, reduced 46.1%, CA 61.601, CB 34.8097 ppm	unknown	n/a
1:71:CYS:SG	3:1:CU1:CU	oxidized 92.6%, reduced 7.4%, CA 58.447, CB 34.9871 ppm	unknown	n/a
1:71:CYS:SG	5:1:CU1:CU	oxidized 92.6%, reduced 7.4%, CA 58.447, CB 34.9871 ppm	unknown	n/a
1:73:CYS:SG	5:1:CU1:CU	oxidized 23.9%, reduced 76.1%, CA 61.0496, CB 33.7861 ppm	unknown	n/a
1:77:CYS:SG	4:1:CU1:CU	oxidized, CA 60.0873, CB 36.2096 ppm	unknown	n/a
1:77:CYS:SG	6:1:CU1:CU	oxidized, CA 60.0873, CB 36.2096 ppm	unknown	n/a
1:79:CYS:O	4:1:CU1:CU	oxidized, CA 61.3836, CB 35.1897 ppm	unknown	n/a
1:79:CYS:SG	4:1:CU1:CU	oxidized, CA 61.3836, CB 35.1897 ppm	unknown	n/a
1:79:CYS:SG	7:1:CU1:CU	oxidized, CA 61.3836, CB 35.1897 ppm	unknown	n/a
1:82:CYS:SG	2:1:CU1:CU	oxidized, CA 59.0521, CB 35.7337 ppm	unknown	n/a
1:82:CYS:SG	4:1:CU1:CU	oxidized, CA 59.0521, CB 35.7337 ppm	unknown	n/a
1:84:CYS:SG	2:1:CU1:CU	oxidized, CA 60.6372, CB 35.6515 ppm	unknown	n/a
1:87:CYS:SG	2:1:CU1:CU	oxidized, CA 60.7696, CB 37.0768 ppm	unknown	n/a
1:87:CYS:SG	6:1:CU1:CU	oxidized, CA 60.7696, CB 37.0768 ppm	unknown	n/a

Non-standard residues

None

Content subtype: bmr31267_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	286		35.6 (chain: 1, length: 90)
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: 90, Sequence coverage: 35.6%
- Total number of assignments
  - ¹H chemical shifts: 172
  - ¹³C chemical shifts: 82
  - ¹⁵N chemical shifts: 32
- Completeness of assignments
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords Cu homeostasis, Cu-thiolate cluster, METAL BINDING PROTEIN, metal storage, metal-dependent fold

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Found 1 Document (1.273 seconds)

BMRB: 31267

Related entities 1. Metallothionein-1A, entity 1, : 8 entities Detail

Experiments performed 10 experiments Detail

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Chemical shift validation 4 contents Detail