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Found 1 Document (3.177 seconds)

BMRB: 30791

7JYZ

Solution NMR structure and dynamics of human Brd3 ET in complex with MLV IN CTD

Authors

Aiyer, S., Liu, G., Swapna, G.V.T., Hao, J., Ma, L.C., Roth, M.J., Montelione, G.T.

Assembly

Integrase, Bromodomain-containing protein 3

Entity

1. Integrase, Bromodomain-containing protein 3, entity 1 (polymer, Thiol state: not present), 89 monomers, 10108.41 Da Detail

HHHHHHSHMV GDTVWVRRHQ TKNLEPRWKG PYTVLLTTPT ALKVDGIAAW IHAAHVKAAD PGGGPSSRLT WRVQRSQNPL KIRLTREAP

2. Integrase, Bromodomain-containing protein 3, entity 2 (polymer), 96 monomers, 11242.36 Da Detail

HHHHHHSHMG KQASASYDSE EEEEGLPMSY DEKRQLSLDI NRLPGEKLGR VVHIIQSREP SLRDSNPDEI EIDFETLKPT TLRELERYVK SCLQKK

Total weight

21350.77 Da

Max. entity weight

11242.36 Da

Source organism

Moloney murine leukemia virus , Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 78.4 %, Completeness (bb): 75.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.4 % (1719 of 2193)	84.8 % (970 of 1144)	69.0 % (584 of 846)	81.3 % (165 of 203)
Backbone	75.0 % (815 of 1086)	88.6 % (326 of 368)	62.0 % (338 of 545)	87.3 % (151 of 173)
Sidechain	82.7 % (1060 of 1282)	83.0 % (644 of 776)	84.5 % (402 of 476)	46.7 % (14 of 30)
Aromatic	64.2 % (104 of 162)	65.4 % (53 of 81)	61.0 % (47 of 77)	100.0 % (4 of 4)
Methyl	97.3 % (177 of 182)	96.7 % (88 of 91)	97.8 % (89 of 91)

1. entity 1

HHHHHHSHMV GDTVWVRRHQ TKNLEPRWKG PYTVLLTTPT ALKVDGIAAW IHAAHVKAAD PGGGPSSRLT WRVQRSQNPL KIRLTREAP

2. entity 2

HHHHHHSHMG KQASASYDSE EEEEGLPMSY DEKRQLSLDI NRLPGEKLGR VVHIIQSREP SLRDSNPDEI EIDFETLKPT TLRELERYVK SCLQKK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.05) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 0.25 mM [U-100% 13C; U-100% 15N] Brd3 ET, 0.25 mM [U-100% 13C; U-100% 15N] MLV-IN-CTD, 20 mM sodium phosphate, 100 mM sodium chloride, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.05) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 0.25 mM [U-15N] Brd3 ET, 0.25 mM [U-15N] MLV-IN-CTD, 20 mM sodium phosphate, 100 mM sodium chloride, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Brd3 ET	[U-15N]	0.25 (±0.02) mM
7	MLV-IN-CTD	[U-15N]	0.25 (±0.02) mM
8	sodium phosphate	natural abundance	20 (±0.02) mM
9	sodium chloride	natural abundance	100 (±0.02) mM
10	2-mercaptoethanol	natural abundance	2 (±0.02) mM

Release date

2020-11-01

Citation

A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins
Aiyer, S., Swapna, G.V.T., Ma, L., Liu, G., Hao, J., Chalmers, G., Jacobs, B.C., Montelione, G.T., Roth, M.
Structure (2021), 29, 886-898, PubMed 33592170 , DOI 10.1016/j.str.2021.01.010 , Abstract

Entries sharing articles BMRB: 4 entries Detail

  BMRB: 30790 released on 2020-10-15
    Title Solution NMR structure of human Brd3 ET complexed with NSD3(148-184) peptide
  BMRB: 30786 released on 2020-09-25
    Title Solution NMR structure of human Brd3 ET domain with MLV IN C-terminal Tail Peptide (TP) complex
  BMRB: 30782 released on 2020-08-18
    Title A common binding motif in the ET domain of BRD3 participates in polymorphic structural interfaces with host and viral proteins
  BMRB: 30444 released on 2018-04-10
    Title Solution structure of the Extraterminal (ET) Domain of BRD2

Related entities 1. Integrase, Bromodomain-containing protein 3, entity 1, : 1 : 1 : 2 entities Detail

Related entities 2. Integrase, Bromodomain-containing protein 3, entity 2, : 1 : 3 : 7 : 42 entities Detail

Interaction partners 2. Integrase, Bromodomain-containing protein 3, entity 2, : 6 interactors Detail

More details for 6 interactors identified by 1 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 (±0.05) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 0.25 mM [U-100% 13C; U-100% 15N] Brd3 ET, 0.25 mM [U-100% 13C; U-100% 15N] MLV-IN-CTD, 20 mM sodium phosphate, 100 mM sodium chloride, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

3 2D 1H-15N HSQC-TROSY

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

4 3D HNCO

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

5 3D HNCA

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

6 3D HCCH-COSY

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

7 3D HNHA

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

8 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

9 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

10 3D HNCACB

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

11 3D HN(CO)CA

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

12 2D 15N-T1-relaxation

Instrument

Bruker AVANCE III HD - 600 MHz Equipped with 5mm TCI probe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 (±0.05) atm, Temperature 298 (±0.1) K, pH 7.2 (±0.05), Details 0.25 mM [U-15N] Brd3 ET, 0.25 mM [U-15N] MLV-IN-CTD, 20 mM sodium phosphate, 100 mM sodium chloride, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
6	Brd3 ET	[U-15N]	0.25 (±0.02) mM
7	MLV-IN-CTD	[U-15N]	0.25 (±0.02) mM
8	sodium phosphate	natural abundance	20 (±0.02) mM
9	sodium chloride	natural abundance	100 (±0.02) mM
10	2-mercaptoethanol	natural abundance	2 (±0.02) mM

13 3D 13C-NOESY-aromatic

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

14 3D 13C-15N_simNOESY

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

15 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz Equipped with a 5 mm TXI cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
2	MLV-IN-CTD	[U-100% 13C; U-100% 15N]	0.25 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	sodium chloride	natural abundance	100 (±0.02) mM
5	2-mercaptoethanol	natural abundance	2 (±0.02) mM

16 2D 15N-T2-relaxation

Instrument

Bruker AVANCE III HD - 600 MHz Equipped with 5mm TCI probe

Sample

#	Name	Isotope labeling	Concentration
6	Brd3 ET	[U-15N]	0.25 (±0.02) mM
7	MLV-IN-CTD	[U-15N]	0.25 (±0.02) mM
8	sodium phosphate	natural abundance	20 (±0.02) mM
9	sodium chloride	natural abundance	100 (±0.02) mM
10	2-mercaptoethanol	natural abundance	2 (±0.02) mM

17 2D HNOE

Instrument

Bruker AVANCE III HD - 600 MHz Equipped with 5mm TCI probe

Sample

#	Name	Isotope labeling	Concentration
6	Brd3 ET	[U-15N]	0.25 (±0.02) mM
7	MLV-IN-CTD	[U-15N]	0.25 (±0.02) mM
8	sodium phosphate	natural abundance	20 (±0.02) mM
9	sodium chloride	natural abundance	100 (±0.02) mM
10	2-mercaptoethanol	natural abundance	2 (±0.02) mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30791_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: bmr30791_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1889		89.9 (chain: 1, length: 89), 91.7 (chain: 2, length: 96)
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: 89, Sequence coverage: 89.9%
  - Entity_assembly_ID: 2, Chain length: 96, Sequence coverage: 91.7%
- Total number of assignments
  - ¹H chemical shifts: 1159
  - ¹³C chemical shifts: 566
  - ¹⁵N chemical shifts: 164
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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
  - Chain_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	541	462	85.4
¹³C chemical shifts	409	273	66.7
¹⁵N chemical shifts	99	76	76.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	177	154	87.0
¹³C chemical shifts	178	76	42.7
¹⁵N chemical shifts	82	68	82.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	364	308	84.6
¹³C chemical shifts	231	197	85.3
¹⁵N chemical shifts	17	8	47.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	50	98.0
¹³C chemical shifts	51	50	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	48	36	75.0
¹³C chemical shifts	44	30	68.2
¹⁵N chemical shifts	4	4	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	603	515	85.4
¹³C chemical shifts	437	293	67.0
¹⁵N chemical shifts	104	88	84.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	191	174	91.1
¹³C chemical shifts	192	88	45.8
¹⁵N chemical shifts	91	82	90.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	412	341	82.8
¹³C chemical shifts	245	205	83.7
¹⁵N chemical shifts	13	6	46.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	41	95.3
¹³C chemical shifts	43	41	95.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	17	51.5
¹³C chemical shifts	33	17	51.5

Keywords Brd3 ET, Integrase, MLV IN CTD, SIGNALING PROTEIN

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Found 1 Document (3.177 seconds)

BMRB: 30791

Sample #1

Sample #2

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. Integrase, Bromodomain-containing protein 3, entity 1, : 1 : 1 : 2 entities Detail

Related entities 2. Integrase, Bromodomain-containing protein 3, entity 2, : 1 : 3 : 7 : 42 entities Detail

Interaction partners 2. Integrase, Bromodomain-containing protein 3, entity 2, : 6 interactors Detail

Experiments performed 17 experiments Detail

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Chemical shift validation 4 contents Detail