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BMRB: 52414

9BV0

1H-NMR assignments for the Z0 zinc-finger domain of transcription repressor Bcl11A

Authors

Alexandrescu, A.

Assembly

Bcl11A-Z0

Entity

1. Bcl11A-Z0, entity 1 (polymer, Thiol state: all other bound), 27 monomers, 3150.716 Da Detail

LTCGQCQMNF PLGDILIFIE HKRKQCN

2. Bcl11A-Z0, entity ZN (non-polymer), 65.409 Da

Total weight

3216.125 Da

Max. entity weight

3150.716 Da

Entity Connection

metal coordination 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS3:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS6:SG	2:ZN1:ZN
3	metal coordination	sing	1:HIS21:ND1	2:ZN1:ZN
4	metal coordination	sing	1:CYS26:SG	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 193, ¹³C: 34 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	LEU	H	H	8.136691	0.004168127	1
2	1	1	LEU	HA	H	3.861968	0.01225311	1
3	1	1	LEU	HB2	H	1.422730	0.01750514	1
4	1	1	LEU	HB3	H	0.8600549	0.009441548	1
5	1	1	LEU	HG	H	1.286098	0.003864344	1
6	1	1	LEU	HD11	H	0.5067465	0.01519035	2
7	1	1	LEU	HD12	H	0.5067465	0.01519035	2
8	1	1	LEU	HD13	H	0.5067465	0.01519035	2
9	1	1	LEU	HD21	H	0.5613662	0.006549119	2
10	1	1	LEU	HD22	H	0.5613662	0.006549119	2
11	1	1	LEU	HD23	H	0.5613662	0.006549119	2
12	1	1	LEU	CA	C	53.47077	0	1
13	1	1	LEU	CD1	C	24.13277	0	2
14	1	1	LEU	CD2	C	23.01255	0	2
15	1	2	THR	H	H	8.775023	0.01720254	1
16	1	2	THR	HA	H	5.231648	0.02835493	1
17	1	2	THR	HB	H	3.715694	0.007550790	1
18	1	2	THR	HG21	H	0.9917697	0.009322675	1
19	1	2	THR	HG22	H	0.9917697	0.009322675	1
20	1	2	THR	HG23	H	0.9917697	0.009322675	1
21	1	2	THR	CA	C	59.89310	0	1
22	1	2	THR	CB	C	71.79100	0	1
23	1	2	THR	CG2	C	21.52388	0	1
24	1	3	CYS	H	H	9.151741	0.002596653	1
25	1	3	CYS	HA	H	4.566008	0.004076039	1
26	1	3	CYS	HB2	H	2.933373	0.005320888	1
27	1	3	CYS	HB3	H	3.458630	0.01484011	1
28	1	3	CYS	CB	C	30.80485	0	1
29	1	4	GLY	H	H	8.578352	0.0005385378	1
30	1	4	GLY	HA2	H	3.904265	0.01342090	2
31	1	4	GLY	HA3	H	4.028306	0.02750162	2
32	1	4	GLY	CA	C	46.17328	0.1734834	1
33	1	5	GLN	H	H	8.947119	0.008435308	1
34	1	5	GLN	HA	H	4.468619	0.007313279	1
35	1	5	GLN	HB2	H	2.107962	0.008998816	2
36	1	5	GLN	HB3	H	2.107962	0.008998816	2
37	1	5	GLN	HG2	H	2.362683	0.02118179	2
38	1	5	GLN	HG3	H	2.413432	0.009476901	2
39	1	5	GLN	HE21	H	6.870980	0	2
40	1	5	GLN	HE22	H	7.549570	0	2
41	1	6	CYS	H	H	8.016654	0.006989836	1
42	1	6	CYS	HA	H	5.029485	0.002898301	1
43	1	6	CYS	HB2	H	2.913091	0.01333176	1
44	1	6	CYS	HB3	H	3.312050	0.01715804	1
45	1	7	GLN	H	H	7.945065	0	1
46	1	7	GLN	HA	H	4.258005	0.03230428	1
47	1	7	GLN	HB2	H	2.063149	0.003168457	2
48	1	7	GLN	HB3	H	2.063149	0.003168457	2
49	1	7	GLN	HG2	H	2.309298	0.002017456	2
50	1	7	GLN	HG3	H	2.309298	0.002017456	2
51	1	8	MET	H	H	7.991365	0.005494758	1
52	1	8	MET	HA	H	4.044131	0.005825105	1
53	1	8	MET	HB2	H	2.154070	0.02300459	1
54	1	8	MET	HB3	H	2.051733	0.02170398	1
55	1	8	MET	HG2	H	2.298269	0.003366046	2
56	1	8	MET	HG3	H	2.400245	0.005138695	2
57	1	8	MET	HE1	H	1.928930	0	1
58	1	8	MET	HE2	H	1.928930	0	1
59	1	8	MET	HE3	H	1.928930	0	1
60	1	8	MET	CB	C	37.98431	0.01822328	1
61	1	8	MET	CE	C	17.10972	0	1
62	1	9	ASN	H	H	8.673953	0.001684900	1
63	1	9	ASN	HA	H	4.801672	0.001684900	1
64	1	9	ASN	HB2	H	2.505284	0.02243745	2
65	1	9	ASN	HB3	H	2.921659	0.01019492	2
66	1	10	PHE	H	H	8.228466	0.02972329	1
67	1	10	PHE	HA	H	5.262891	0.02292886	1
68	1	10	PHE	HB2	H	2.537545	0.01261243	2
69	1	10	PHE	HB3	H	2.916942	0.02178301	2
70	1	10	PHE	HD1	H	7.121551	0.005334172	3
71	1	10	PHE	HD2	H	7.121551	0.005334172	3
72	1	10	PHE	HE1	H	6.897464	0.003856177	3
73	1	10	PHE	HE2	H	6.897464	0.003856177	3
74	1	10	PHE	HZ	H	6.272267	0.004723797	1
75	1	10	PHE	CA	C	51.89483	0	1
76	1	10	PHE	CB	C	40.57976	0.004409649	1
77	1	11	PRO	HA	H	4.450016	0.003849571	1
78	1	11	PRO	HB2	H	2.307316	0.004290076	2
79	1	11	PRO	HB3	H	2.334071	0.007225291	2
80	1	11	PRO	HG2	H	1.932986	0.005815731	2
81	1	11	PRO	HG3	H	2.004440	0.01926482	2
82	1	11	PRO	HD2	H	3.749091	0.004789664	2
83	1	11	PRO	HD3	H	3.906042	0.004900341	2
84	1	11	PRO	CB	C	33.99264	0	1
85	1	12	LEU	H	H	7.994239	0.006979667	1
86	1	12	LEU	HA	H	4.093403	0.005337340	1
87	1	12	LEU	HB2	H	1.442131	0.009628312	1
88	1	12	LEU	HB3	H	1.793768	0	1
89	1	12	LEU	HG	H	1.296018	0	1
90	1	12	LEU	HD11	H	0.9450048	0.006412392	2
91	1	12	LEU	HD12	H	0.9450048	0.006412392	2
92	1	12	LEU	HD13	H	0.9450048	0.006412392	2
93	1	12	LEU	HD21	H	1.148454	0.0002848214	2
94	1	12	LEU	HD22	H	1.148454	0.0002848214	2
95	1	12	LEU	HD23	H	1.148454	0.0002848214	2
96	1	12	LEU	CD1	C	24.55960	0	2
97	1	12	LEU	CD2	C	24.55960	0	2
98	1	13	GLY	H	H	8.467358	0.01830173	1
99	1	13	GLY	HA2	H	4.090796	0.007724394	2
100	1	14	ASP	H	H	7.618757	0.02211870	1
101	1	14	ASP	HA	H	4.453404	0.005551285	1
102	1	14	ASP	HB2	H	2.627666	0.02723780	2
103	1	14	ASP	HB3	H	2.702869	0.008674917	2
104	1	15	ILE	H	H	7.786103	0.006205347	1
105	1	15	ILE	HA	H	4.020895	0.01390929	1
106	1	15	ILE	HB	H	1.821737	0.009495289	1
107	1	15	ILE	HG12	H	1.014503	0.01366101	2
108	1	15	ILE	HG13	H	1.644103	0.01276906	2
109	1	15	ILE	HG21	H	0.9747265	0.02509800	1
110	1	15	ILE	HG22	H	0.9747265	0.02509800	1
111	1	15	ILE	HG23	H	0.9747265	0.02509800	1
112	1	15	ILE	HD11	H	0.9165593	0.01702826	1
113	1	15	ILE	HD12	H	0.9165593	0.01702826	1
114	1	15	ILE	HD13	H	0.9165593	0.01702826	1
115	1	15	ILE	CG2	C	17.96325	0	1
116	1	16	LEU	H	H	8.470148	0.008391886	1
117	1	16	LEU	HA	H	4.112858	0.005973288	1
118	1	16	LEU	HB2	H	1.750072	0.01197580	1
119	1	16	LEU	HB3	H	1.837317	0.01789398	1
120	1	16	LEU	HG	H	1.501469	0.03541250	1
121	1	16	LEU	HD11	H	0.8993829	0.004936881	2
122	1	16	LEU	HD12	H	0.8993829	0.004936881	2
123	1	16	LEU	HD13	H	0.8993829	0.004936881	2
124	1	16	LEU	HD21	H	0.9890451	0.02834971	2
125	1	16	LEU	HD22	H	0.9890451	0.02834971	2
126	1	16	LEU	HD23	H	0.9890451	0.02834971	2
127	1	16	LEU	CG	C	28.55256	0	1
128	1	16	LEU	CD1	C	23.68027	0	2
129	1	16	LEU	CD2	C	23.68027	0	2
130	1	17	ILE	H	H	7.487347	0.005315342	1
131	1	17	ILE	HA	H	3.841451	0.006884826	1
132	1	17	ILE	HB	H	2.126851	0.01387942	1
133	1	17	ILE	HG12	H	1.145810	0.01055120	2
134	1	17	ILE	HG13	H	1.145810	0.01055120	2
135	1	17	ILE	HG21	H	0.9619513	0.03923892	1
136	1	17	ILE	HG22	H	0.9619513	0.03923892	1
137	1	17	ILE	HG23	H	0.9619513	0.03923892	1
138	1	17	ILE	HD11	H	0.8258681	0.03114080	1
139	1	17	ILE	HD12	H	0.8258681	0.03114080	1
140	1	17	ILE	HD13	H	0.8258681	0.03114080	1
141	1	17	ILE	CG2	C	17.60545	0	1
142	1	17	ILE	CD1	C	13.07902	0	1
143	1	18	PHE	H	H	8.397392	0.007693752	1
144	1	18	PHE	HA	H	3.323492	0.008155363	1
145	1	18	PHE	HB2	H	2.326124	0.009469820	1
146	1	18	PHE	HB3	H	3.085747	0.01312054	1
147	1	18	PHE	HD1	H	6.697298	0.01408901	3
148	1	18	PHE	HD2	H	6.697298	0.01408901	3
149	1	18	PHE	HE1	H	7.139293	0.01182511	3
150	1	18	PHE	HE2	H	7.139293	0.01182511	3
151	1	18	PHE	HZ	H	7.340416	0.004172318	1
152	1	19	ILE	H	H	8.404042	0.006640096	1
153	1	19	ILE	HA	H	3.326816	0.01515055	1
154	1	19	ILE	HB	H	1.844286	0.02992528	1
155	1	19	ILE	HG12	H	1.213514	0.01504371	2
156	1	19	ILE	HG13	H	1.213514	0.01504371	2
157	1	19	ILE	HG21	H	0.8749359	0.0009213346	1
158	1	19	ILE	HG22	H	0.8749359	0.0009213346	1
159	1	19	ILE	HG23	H	0.8749359	0.0009213346	1
160	1	19	ILE	HD11	H	0.9631081	0	1
161	1	19	ILE	HD12	H	0.9631081	0	1
162	1	19	ILE	HD13	H	0.9631081	0	1
163	1	19	ILE	CB	C	37.74741	0	1
164	1	19	ILE	CG1	C	29.64196	0	1
165	1	19	ILE	CG2	C	17.24765	0	1
166	1	19	ILE	CD1	C	13.30369	0	1
167	1	20	GLU	H	H	7.673681	0.01745632	1
168	1	20	GLU	HA	H	4.090149	0.009167760	1
169	1	20	GLU	HB2	H	2.036047	0.007901944	2
170	1	20	GLU	HB3	H	2.106496	0.009447217	2
171	1	20	GLU	HG2	H	2.274537	0	2
172	1	20	GLU	HG3	H	2.274537	0	2
173	1	21	HIS	H	H	7.888311	0.01366051	1
174	1	21	HIS	HA	H	5.009648	0.02231517	1
175	1	21	HIS	HB2	H	2.722327	0.03357430	1
176	1	21	HIS	HB3	H	3.166241	0.01536115	1
177	1	21	HIS	HD2	H	6.787870	0.003828965	1
178	1	21	HIS	HE1	H	8.016770	0.006574869	1
179	1	21	HIS	CA	C	58.88629	0	1
180	1	21	HIS	CB	C	28.60194	0	1
181	1	22	LYS	H	H	7.678624	0.01517129	1
182	1	22	LYS	HA	H	4.328376	0.007917521	1
183	1	22	LYS	HB2	H	1.652020	0.004234404	1
184	1	22	LYS	HB3	H	1.726786	0.01427429	1
185	1	22	LYS	HG2	H	1.360164	0.004659326	2
186	1	22	LYS	HG3	H	1.464146	0.008732131	2
187	1	22	LYS	HD2	H	1.653117	0.004858774	2
188	1	22	LYS	HD3	H	1.831427	0.01448062	2
189	1	22	LYS	HE2	H	2.939542	0.001590409	2
190	1	22	LYS	HE3	H	2.939542	0.001590409	2
191	1	22	LYS	CE	C	41.52898	0	1
192	1	23	ARG	H	H	7.970541	0.01077320	1
193	1	23	ARG	HA	H	4.240288	0.006455672	1
194	1	23	ARG	HB2	H	2.055829	0.01090192	2
195	1	23	ARG	HB3	H	2.312457	0.002185458	2
196	1	23	ARG	HG2	H	1.507559	0.02780630	2
197	1	23	ARG	HG3	H	1.654001	0.008324986	2
198	1	23	ARG	HD2	H	2.946988	0.004681034	2
199	1	23	ARG	HD3	H	2.946988	0.004681034	2
200	1	23	ARG	CA	C	56.71303	0	1
201	1	23	ARG	CB	C	28.71233	0.06145276	1
202	1	24	LYS	H	H	7.686829	0.01362801	1
203	1	24	LYS	HA	H	4.031281	0.01009896	1
204	1	24	LYS	HB2	H	1.740916	0.01121312	1
205	1	24	LYS	HB3	H	1.890177	0.0007149383	1
206	1	24	LYS	HG2	H	1.174059	0.01415273	2
207	1	24	LYS	HG3	H	1.334449	0	2
208	1	24	LYS	HD2	H	1.595992	0	2
209	1	24	LYS	HD3	H	1.642220	0	2
210	1	24	LYS	CA	C	57.93640	0	1
211	1	25	GLN	H	H	8.407467	0.01206077	1
212	1	25	GLN	HA	H	4.103415	0.004243405	1
213	1	25	GLN	HB2	H	2.041232	0.003529924	2
214	1	25	GLN	HB3	H	2.103421	0.01807202	2
215	1	25	GLN	HG2	H	2.334241	0.004430273	2
216	1	25	GLN	HG3	H	2.338671	0	2
217	1	26	CYS	H	H	8.154026	0.005052007	1
218	1	26	CYS	HA	H	4.180317	0.003679514	1
219	1	26	CYS	HB2	H	3.202512	0.008138981	1
220	1	26	CYS	HB3	H	3.485242	0.01218730	1
221	1	26	CYS	CA	C	59.16085	0	1
222	1	26	CYS	CB	C	27.31969	0.03556294	1
223	1	27	ASN	H	H	7.699304	0.01220500	1
224	1	27	ASN	HA	H	4.009237	0	1
225	1	27	ASN	HB2	H	2.635187	0.01708514	2
226	1	27	ASN	HB3	H	2.696751	0.006323920	2
227	1	27	ASN	CB	C	40.59251	0.08582261	1

Release date

2024-04-15

Citation

Solution structure of the Z0 domain from transcription repressor Bcl11A provides clues about protein-binding zinc finger sequences
Alexandrescu, A.
To be determined

Related entities 1. Bcl11A-Z0, entity 1, : 1 : 6 : 17 entities Detail

Interaction partners 1. Bcl11A-Z0, entity 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 6 experiments Detail

#	Name	Isotope labeling	Type	Concentration
1	Bcl11A-Z0	natural abundance		40 uM
2	ZINC ION	natural abundance		600 uM

#	Name	Isotope labeling	Type	Concentration
1	Bcl11A-Z0	natural abundance		40 uM
2	ZINC ION	natural abundance		600 uM

#	Name	Isotope labeling	Type	Concentration
3	Bcl11A-Z0	natural abundance		40 uM
4	ZINC ION	natural abundance		600 uM

#	Name	Isotope labeling	Type	Concentration
3	Bcl11A-Z0	natural abundance		40 uM
4	ZINC ION	natural abundance		600 uM

#	Name	Isotope labeling	Type	Concentration
3	Bcl11A-Z0	natural abundance		40 uM
4	ZINC ION	natural abundance		600 uM

#	Name	Isotope labeling	Type	Concentration
3	Bcl11A-Z0	natural abundance		40 uM
4	ZINC ION	natural abundance		600 uM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr52414_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	Error

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)
1:3:CYS:SG	2:1:ZN:ZN	reduced, CB 30.80485487 ppm	unknown	n/a
1:6:CYS:SG	2:1:ZN:ZN	unknown	unknown	n/a
1:21:HIS:ND1	2:1:ZN:ZN	unknown	unknown	n/a
1:26:CYS:SG	2:1:ZN:ZN	reduced, CA 59.16084512, CB 27.31968674 ppm	unknown	n/a

Non-standard residues

None

Content subtype: bmr52414_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	227		100.0 (chain: 1, length: 27)
1	Chemical shift references	chem_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 27, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 193
  - ¹³C chemical shifts: 34
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	55	54	98.2
¹³C chemical shifts	54	8	14.8

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Found 1 Document (0.504 seconds)

BMRB: 52414

Related entities 1. Bcl11A-Z0, entity 1, : 1 : 6 : 17 entities Detail

Interaction partners 1. Bcl11A-Z0, entity 1, : 1 interactors Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 4 contents Detail