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BMRB: 26043

2ND1

Solution NMR structures of BRD4 ET domain in complex with NSD3_3 peptide

Authors

Zeng, L., ZHOU, M.

Assembly

BRD4 ET domain with NSD3 3 peptide

Entity

1. BRD4 ET domain with NSD3 3 peptide, entity 1 (polymer, Thiol state: all free), 83 monomers, 9726.987 Da Detail

SEEEDKCKPM SYEEKRQLSL DINKLPGEKL GRVVHIIQSR EPSLKNSNPD EIEIDFETLK PSTLRELERY VTSCLRKKRK PQA

2. BRD4 ET domain with NSD3 3 peptide, entity 2 (polymer, Thiol state: all free), 13 monomers, 1552.895 Da Detail

VVPKKKIKKE QVE

Total weight

11279.883 Da

Max. entity weight

9726.987 Da

Source organism

Exptl. method

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 82.1 %, Completeness (bb): 80.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.1 % (982 of 1196)	87.8 % (567 of 646)	73.1 % (332 of 454)	86.5 % (83 of 96)
Backbone	80.6 % (453 of 562)	99.5 % (186 of 187)	66.1 % (189 of 286)	87.6 % (78 of 89)
Sidechain	85.0 % (619 of 728)	83.0 % (381 of 459)	88.9 % (233 of 262)	71.4 % (5 of 7)
Aromatic	60.0 % (18 of 30)	60.0 % (9 of 15)	60.0 % (9 of 15)
Methyl	100.0 % (92 of 92)	100.0 % (46 of 46)	100.0 % (46 of 46)

1. entity 1

SEEEDKCKPM SYEEKRQLSL DINKLPGEKL GRVVHIIQSR EPSLKNSNPD EIEIDFETLK PSTLRELERY VTSCLRKKRK PQA

2. entity 2

VVPKKKIKKE QVE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
7	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
8	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
9	sodium phosphate	natural abundance		10 mM
10	sodium chloride	natural abundance		100 mM
11	DTT	[U-100% 2H]		2 mM
12	H2O	natural abundance	solvent	90 %
13	D2O	[U-2H]	solvent	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2ND1, Strand ID: A, B Detail

Release date

2016-06-29

Citation

Structural Mechanism of Transcriptional Regulator NSD3 Recognition by the ET Domain of BRD4
Zhang, Q., Zeng, L., Shen, C., Ju, Y., Konuma, T., Zhao, C., Vakoc, C.R., ZHOU, M.
Structure (2016), 24, 1201-1208, PubMed 27291650 , DOI 10.1016/j.str.2016.04.019 , Abstract

Related entities 1. BRD4 ET domain with NSD3 3 peptide, entity 1, : 5 : 80 entities Detail

Related entities 2. BRD4 ET domain with NSD3 3 peptide, entity 2, : 2 entities Detail

Interaction partners 1. BRD4 ET domain with NSD3 3 peptide, entity 1, : 42 interactors Detail

More details for 42 interactors identified by 19 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
7	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
8	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
9	sodium phosphate	natural abundance		10 mM
10	sodium chloride	natural abundance		100 mM
11	DTT	[U-100% 2H]		2 mM
12	H2O	natural abundance	solvent	90 %
13	D2O	[U-2H]	solvent	10 %

2 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
7	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
8	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
9	sodium phosphate	natural abundance		10 mM
10	sodium chloride	natural abundance		100 mM
11	DTT	[U-100% 2H]		2 mM
12	H2O	natural abundance	solvent	90 %
13	D2O	[U-2H]	solvent	10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
7	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
8	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
9	sodium phosphate	natural abundance		10 mM
10	sodium chloride	natural abundance		100 mM
11	DTT	[U-100% 2H]		2 mM
12	H2O	natural abundance	solvent	90 %
13	D2O	[U-2H]	solvent	10 %

4 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
7	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
8	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
9	sodium phosphate	natural abundance		10 mM
10	sodium chloride	natural abundance		100 mM
11	DTT	[U-100% 2H]		2 mM
12	H2O	natural abundance	solvent	90 %
13	D2O	[U-2H]	solvent	10 %

5 3D 1H-15N TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
7	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
8	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
9	sodium phosphate	natural abundance		10 mM
10	sodium chloride	natural abundance		100 mM
11	DTT	[U-100% 2H]		2 mM
12	H2O	natural abundance	solvent	90 %
13	D2O	[U-2H]	solvent	10 %

6 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
2	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
3	sodium phosphate	natural abundance		10 mM
4	sodium chloride	natural abundance		100 mM
5	DTT	[U-100% 2H]		2 mM
6	D2O	[U-2H]	solvent	100 %

7 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
2	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
3	sodium phosphate	natural abundance		10 mM
4	sodium chloride	natural abundance		100 mM
5	DTT	[U-100% 2H]		2 mM
6	D2O	[U-2H]	solvent	100 %

8 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
2	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
3	sodium phosphate	natural abundance		10 mM
4	sodium chloride	natural abundance		100 mM
5	DTT	[U-100% 2H]		2 mM
6	D2O	[U-2H]	solvent	100 %

9 3D filtered 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
2	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
3	sodium phosphate	natural abundance		10 mM
4	sodium chloride	natural abundance		100 mM
5	DTT	[U-100% 2H]		2 mM
6	D2O	[U-2H]	solvent	100 %

10 3D filtered 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance	protein	0.0 ~ 0.0 mM
2	entity_2	natural abundance	protein	0.0 ~ 0.0 mM
3	sodium phosphate	natural abundance		10 mM
4	sodium chloride	natural abundance		100 mM
5	DTT	[U-100% 2H]		2 mM
6	D2O	[U-2H]	solvent	100 %

nullKeywords BET, BRD4, ET, LANA, NSD3