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BMRB: 25649

2N3K

Human Brd4 ET domain in complex with MLV Integrase C-term

Authors

Crowe, B.L., Foster, M.P.

Assembly

Human Brd4 ET domain in complex with MLV Integrase C-term

Entity

1. Brd4 ET (polymer, Thiol state: all free), 86 monomers, 9976.272 Da Detail

GAIAMESEEE DKCKPMSYEE KRQLSLDINK LPGEKLGRVV HIIQSREPSL KNSNPDEIEI DFETLKPSTL RELERYVTSC LRKKTR

2. MLV IN EBM (polymer, Thiol state: not present), 17 monomers, 2152.504 Da Detail

TWRVQRSQNP LKIRLTR

Total weight

12128.776 Da

Max. entity weight

9976.272 Da

Source organism

Homo sapiens , Murine leukemia virus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 74.4 %, Completeness (bb): 88.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.4 % (938 of 1260)	72.1 % (487 of 675)	75.8 % (363 of 479)	83.0 % (88 of 106)
Backbone	88.4 % (536 of 606)	97.5 % (198 of 203)	83.3 % (255 of 306)	85.6 % (83 of 97)
Sidechain	64.5 % (486 of 754)	61.2 % (289 of 472)	70.3 % (192 of 273)	55.6 % (5 of 9)
Aromatic	47.6 % (20 of 42)	66.7 % (14 of 21)	30.0 % (6 of 20)	0.0 % (0 of 1)
Methyl	87.5 % (91 of 104)	96.2 % (50 of 52)	78.8 % (41 of 52)

1. Brd4 ET

GAIAMESEEE DKCKPMSYEE KRQLSLDINK LPGEKLGRVV HIIQSREPSL KNSNPDEIEI DFETLKPSTL RELERYVTSC LRKKTR

2. MLV IN EBM

TWRVQRSQNP LKIRLTR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN D2O

#	Name	Isotope labeling	Concentration
10	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
11	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
12	TRIS	[U-2H]	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.002 % v/v
15	DSS	natural abundance	0.5 mM
16	DTT	[U-2H]	2 mM
17	D2O	natural abundance	100 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details U15N Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
18	Brd4 ET	[U-99% 15N]	0.4 ~ 0.8 mM
19	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
20	TRIS	[U-2H]	20 mM
21	sodium chloride	natural abundance	100 mM
22	sodium azide	natural abundance	0.002 % v/v
23	DSS	natural abundance	0.5 mM
24	DTT	[U-2H]	2 mM
25	H2O	natural abundance	90 %
26	D2O	natural abundance	10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET free in water

#	Name	Isotope labeling	Concentration
27	Brd4 ET	[U-99% 15N]	0.4 ~ 0.8 mM
28	TRIS	[U-2H]	20 mM
29	sodium chloride	natural abundance	100 mM
30	sodium azide	natural abundance	0.002 % v/v
31	DSS	natural abundance	0.5 mM
32	DTT	[U-2H]	2 mM
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details MLV IN EBM in water

#	Name	Isotope labeling	Concentration
35	MLV IN EBM	natural abundance	1 mM
36	DSS	natural abundance	0.5 mM
37	sodium azide	natural abundance	0.002 % v/v
38	H2O	natural abundance	90 %
39	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2N3K, Strand ID: A, B Detail

Release date

2016-02-28

Citation

Structure of the Brd4 ET domain bound to a C-terminal motif from γ-retroviral integrases reveals a conserved mechanism of interaction
Crowe, B.L., Larue, R.C., Yuan, C., Kvaratskhelia, M., Foster, M.P.
Proc. Natl. Acad. Sci. U. S. A. (2016), 113, 2086-2091, PubMed 26858406 , DOI 10.1073/pnas.1516813113 , Abstract

Related entities 1. Brd4 ET, : 5 : 68 entities Detail

Related entities 2. MLV IN EBM, : 1 entities Detail

Interaction partners 1. Brd4 ET, : 42 interactors Detail

More details for 42 interactors identified by 19 citations

Experiments performed 25 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET free in water

#	Name	Isotope labeling	Concentration
27	Brd4 ET	[U-99% 15N]	0.4 ~ 0.8 mM
28	TRIS	[U-2H]	20 mM
29	sodium chloride	natural abundance	100 mM
30	sodium azide	natural abundance	0.002 % v/v
31	DSS	natural abundance	0.5 mM
32	DTT	[U-2H]	2 mM
33	H2O	natural abundance	90 %
34	D2O	natural abundance	10 %

2 2D 1H-15N HSQC

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details U15N Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
18	Brd4 ET	[U-99% 15N]	0.4 ~ 0.8 mM
19	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
20	TRIS	[U-2H]	20 mM
21	sodium chloride	natural abundance	100 mM
22	sodium azide	natural abundance	0.002 % v/v
23	DSS	natural abundance	0.5 mM
24	DTT	[U-2H]	2 mM
25	H2O	natural abundance	90 %
26	D2O	natural abundance	10 %

3 2D 1H-15N HSQC

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

4 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

5 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN D2O

#	Name	Isotope labeling	Concentration
10	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
11	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
12	TRIS	[U-2H]	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.002 % v/v
15	DSS	natural abundance	0.5 mM
16	DTT	[U-2H]	2 mM
17	D2O	natural abundance	100 %

6 1D 13C,15N-filtered watergate 1H

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details MLV IN EBM in water

#	Name	Isotope labeling	Concentration
35	MLV IN EBM	natural abundance	1 mM
36	DSS	natural abundance	0.5 mM
37	sodium azide	natural abundance	0.002 % v/v
38	H2O	natural abundance	90 %
39	D2O	natural abundance	10 %

7 1D 13C,15N-filtered watergate 1H

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

8 3D HNCO

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

9 3D HNCA

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

10 3D HNCACB

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

11 3D CBCA(CO)NH

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

12 3D HBHA(CO)NH

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

13 3D HCCH-TOCSY

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

14 3D CC(CO)NH-TOCSY

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

15 2D 13C,15N-filtered 1H-1H COSY

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

16 2D 13C,15N-filtered 1H-1H TOCSY

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

17 2D 13C,15N-filtered 1H-1H NOESY

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

18 2D 13C,15N-filtered 1H-1H COSY

Instrument

Bruker Avance III HD Ascend - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN D2O

#	Name	Isotope labeling	Concentration
10	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
11	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
12	TRIS	[U-2H]	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.002 % v/v
15	DSS	natural abundance	0.5 mM
16	DTT	[U-2H]	2 mM
17	D2O	natural abundance	100 %

19 2D 13C,15N-filtered 1H-1H TOCSY

Instrument

Bruker Avance III HD Ascend - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN D2O

#	Name	Isotope labeling	Concentration
10	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
11	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
12	TRIS	[U-2H]	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.002 % v/v
15	DSS	natural abundance	0.5 mM
16	DTT	[U-2H]	2 mM
17	D2O	natural abundance	100 %

20 2D 13C,15N-filtered 1H-1H NOESY

Instrument

Bruker Avance III HD Ascend - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN D2O

#	Name	Isotope labeling	Concentration
10	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
11	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
12	TRIS	[U-2H]	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.002 % v/v
15	DSS	natural abundance	0.5 mM
16	DTT	[U-2H]	2 mM
17	D2O	natural abundance	100 %

21 3D 1H-15N NOESY

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

22 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

23 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN D2O

#	Name	Isotope labeling	Concentration
10	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
11	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
12	TRIS	[U-2H]	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.002 % v/v
15	DSS	natural abundance	0.5 mM
16	DTT	[U-2H]	2 mM
17	D2O	natural abundance	100 %

24 3D 13C,15N-filtered(f1) 1H-15N(f2) NOESY

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN water

#	Name	Isotope labeling	Concentration
1	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
2	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
3	TRIS	[U-2H]	20 mM
4	sodium chloride	natural abundance	100 mM
5	sodium azide	natural abundance	0.002 % v/v
6	DSS	natural abundance	0.5 mM
7	DTT	[U-2H]	2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

25 3D 13C,15N-filtered(f1) 1H-13C(f2) NOESY aliphatic

Instrument

Bruker Avance III HD - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details Brd4 ET with MLV IN D2O

#	Name	Isotope labeling	Concentration
10	Brd4 ET	[U-99% 13C; U-99% 15N]	0.4 ~ 0.8 mM
11	MLV IN EBM	natural abundance	0.4 ~ 0.8 mM
12	TRIS	[U-2H]	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	0.002 % v/v
15	DSS	natural abundance	0.5 mM
16	DTT	[U-2H]	2 mM
17	D2O	natural abundance	100 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_25649_2n3k.nef
Input source #2: Coordindates	2n3k.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

---600-------610-------620-------630-------640-------650-------660-------670-------680
GAIAMESEEEDKCKPMSYEEKRQLSLDINKLPGEKLGRVVHIIQSREPSLKNSNPDEIEIDFETLKPSTLRELERYVTSCLRKKTR
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GAIAMESEEEDKCKPMSYEEKRQLSLDINKLPGEKLGRVVHIIQSREPSLKNSNPDEIEIDFETLKPSTLRELERYVTSCLRKKTR
--------10--------20--------30--------40--------50--------60--------70--------80------

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

-390-----400-----
TWRVQRSQNPLKIRLTR
|||||||||||||||||
TWRVQRSQNPLKIRLTR
--------10-------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	86	0	0	100.0
B	B	17	0	0	100.0

Content subtype: combined_25649_2n3k.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	889		100.0 (chain: A, length: 86), 100.0 (chain: B, length: 17)
1	Distance restraints	DYANA/DIANA_distance_constraints_3	Warning	1659 (1)	noe	89.5 (chain: A, length: 86), 100.0 (chain: B, length: 17)
2	Distance restraints	DYANA/DIANA_distance_constraints_4	OK	88 (1)	hbond	57.0 (chain: A, length: 86), 47.1 (chain: B, length: 17)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	127 (127)	.	83.7 (chain: A, length: 86)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 86, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 17, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 449
  - ¹³C chemical shifts: 354
  - ¹⁵N chemical shifts: 86
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- 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: A
  - Chain_ID: B

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
617	GLN	CD	181.131
623	ASN	CG	175.246
638	GLN	CD	181.746
646	ASN	CG	174.157
648	ASN	CG	173.929

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	552	342	62.0
¹³C chemical shifts	395	349	88.4
¹⁵N chemical shifts	93	86	92.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	170	165	97.1
¹³C chemical shifts	172	165	95.9
¹⁵N chemical shifts	81	81	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	382	177	46.3
¹³C chemical shifts	223	184	82.5
¹⁵N chemical shifts	12	5	41.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	42	95.5
¹³C chemical shifts	44	42	95.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	8	53.3
¹³C chemical shifts	15	6	40.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	123	107	87.0
¹³C chemical shifts	84	0	0.0
¹⁵N chemical shifts	24	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	32	97.0
¹³C chemical shifts	34	0	0.0
¹⁵N chemical shifts	16	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	75	83.3
¹³C chemical shifts	50	0	0.0
¹⁵N chemical shifts	8	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	10	9	90.0
¹³C chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	6	100.0
¹³C chemical shifts	5	0	0.0
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 86, Sequence coverage: 89.5%
  - Entity_assembly_ID: B, Chain length: 17, Sequence coverage: 100.0%
- Total number of restraints: 1658
- Weight of restraints: 1.0 (1658)
- Potential type of restraints: upper-bound-parabolic (1658)
- Range of distance target values: 2.5, 5.5 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 86, Sequence coverage: 57.0%
    - Entity_assembly_ID: B, Chain length: 17, Sequence coverage: 47.1%
  - Total number of restraints: 88
  - Weight of restraints: 1.0 (88)
  - Potential type of restraints: upper-bound-parabolic (88)
  - Range of distance target values: 2.5, 3.5 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 86, Sequence coverage: 83.7%
- Total number of restraints: 127
- Total number of restraints per polymer type: 127
- Weight of restraints: 1.0 (127)
- Potential type of restraints: square-well-parabolic (127)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Brd4 ET, MLV Integrase, Protein/Protein complex

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Found 1 Document (2.14 seconds)

BMRB: 25649

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Related entities 1. Brd4 ET, : 5 : 68 entities Detail

Related entities 2. MLV IN EBM, : 1 entities Detail

Interaction partners 1. Brd4 ET, : 42 interactors Detail

Experiments performed 25 experiments Detail

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