BMRBj - BMREntryMaster

Found 1 Document (0.638 seconds)

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

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.638 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

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail