BMRBj - BMREntryMaster

Found 1 Document (2.765 seconds)

BMRB: 30782

7JQ8

A common binding motif in the ET domain of BRD3 participates in polymorphic structural interfaces with host and viral proteins

Authors

Aiyer, S., Swapna, G.V.T., Roth, M., Montelione, G.T.

Assembly

Bromodomain-containing protein 3

Entity

1. Bromodomain-containing protein 3 (polymer), 96 monomers, 11242.36 Da Detail

HHHHHHSHMG KQASASYDSE EEEEGLPMSY DEKRQLSLDI NRLPGEKLGR VVHIIQSREP SLRDSNPDEI EIDFETLKPT TLRELERYVK SCLQKK

Formula weight

11242.36 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.8 %, Completeness: 85.8 %, Completeness (bb): 89.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.8 % (981 of 1144)	85.9 % (518 of 603)	85.8 % (375 of 437)	84.6 % (88 of 104)
Backbone	89.9 % (509 of 566)	91.1 % (174 of 191)	88.7 % (252 of 284)	91.2 % (83 of 91)
Sidechain	83.0 % (556 of 670)	83.5 % (344 of 412)	84.5 % (207 of 245)	38.5 % (5 of 13)
Aromatic	48.5 % (32 of 66)	48.5 % (16 of 33)	48.5 % (16 of 33)
Methyl	100.0 % (82 of 82)	100.0 % (41 of 41)	100.0 % (41 of 41)

1. entity 1

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 0.5 mM [U-15N] Brd3 ET Domain, 100 mM sodium chloride, 20 mM Na3PO4, 2 mM 2-mercapto ethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Brd3 ET Domain	[U-15N]	0.5 (±0.02) mM
2	sodium chloride	natural abundance	100 (±0.02) mM
3	Na3PO4	natural abundance	20 (±0.02) mM
4	2-mercapto ethanol	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 0.5 mM [U-13C; U-15N] Brd3 ET Domain, 100 mM sodium chloride, 20 mM Na3PO4, 2 mM beta-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

Release date

2020-08-18

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

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

Interaction partners 1. Bromodomain-containing protein 3, : 6 interactors Detail

More details for 6 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 600 MHz Equipped with 1.7mm microcryoprobe

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 0.5 mM [U-15N] Brd3 ET Domain, 100 mM sodium chloride, 20 mM Na3PO4, 2 mM 2-mercapto ethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Brd3 ET Domain	[U-15N]	0.5 (±0.02) mM
2	sodium chloride	natural abundance	100 (±0.02) mM
3	Na3PO4	natural abundance	20 (±0.02) mM
4	2-mercapto ethanol	natural abundance	2 (±0.02) mM

2 1D T1

Instrument

Bruker AVANCE - 600 MHz Equipped with 1.7mm microcryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET Domain	[U-15N]	0.5 (±0.02) mM
2	sodium chloride	natural abundance	100 (±0.02) mM
3	Na3PO4	natural abundance	20 (±0.02) mM
4	2-mercapto ethanol	natural abundance	2 (±0.02) mM

3 1D T2

Instrument

Bruker AVANCE - 600 MHz Equipped with 1.7mm microcryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET Domain	[U-15N]	0.5 (±0.02) mM
2	sodium chloride	natural abundance	100 (±0.02) mM
3	Na3PO4	natural abundance	20 (±0.02) mM
4	2-mercapto ethanol	natural abundance	2 (±0.02) mM

4 2D HNOE

Instrument

Bruker AVANCE - 600 MHz Equipped with 1.7mm microcryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	Brd3 ET Domain	[U-15N]	0.5 (±0.02) mM
2	sodium chloride	natural abundance	100 (±0.02) mM
3	Na3PO4	natural abundance	20 (±0.02) mM
4	2-mercapto ethanol	natural abundance	2 (±0.02) mM

5 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 800 MHz

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 0.5 mM [U-13C; U-15N] Brd3 ET Domain, 100 mM sodium chloride, 20 mM Na3PO4, 2 mM beta-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

6 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

7 3D 1H-13C,15N simNOESY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

8 3D HCCH-TOCSY

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

9 3D HBHA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

10 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

11 3D HNCACB

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

12 3D HNCA

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

13 3D HNCO

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

14 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
5	Brd3 ET Domain	[U-13C; U-15N]	0.5 (±0.02) mM
6	sodium chloride	natural abundance	100 (±0.02) mM
7	Na3PO4	natural abundance	20 (±0.02) mM
8	beta-mercaptoethanol	natural abundance	2 (±0.02) mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30782_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	OK

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30782_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	1058		91.7 (chain: 1, length: 96)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 96, Sequence coverage: 91.7%
- Total number of assignments
  - ¹H chemical shifts: 601
  - ¹³C chemical shifts: 370
  - ¹⁵N chemical shifts: 87
- 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	603	515	85.4
¹³C chemical shifts	437	370	84.7
¹⁵N chemical shifts	104	87	83.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	191	172	90.1
¹³C chemical shifts	192	165	85.9
¹⁵N chemical shifts	91	82	90.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	412	343	83.3
¹³C chemical shifts	245	205	83.7
¹⁵N chemical shifts	13	5	38.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	43	100.0
¹³C chemical shifts	43	43	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	16	48.5
¹³C chemical shifts	33	16	48.5

Keywords BET proteins, BRD3, Integrase, VIRAL PROTEIN, extra-terminal domain

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Found 1 Document (2.765 seconds)

BMRB: 30782

Sample #1

Sample #2

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

Interaction partners 1. Bromodomain-containing protein 3, : 6 interactors Detail

Experiments performed 14 experiments Detail

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Chemical shift validation 3 contents Detail