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Found 1 Document (3.46 seconds)

BMRB: 25348

2MWP

Solution structure of 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide

Authors

Cui, G., Botuyan, M., Mer, G.

Assembly

53BP1 tandem Tudor domains in complex with a p53K382me2 peptide

Entity

1. 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide, entity 1 (polymer, Thiol state: all free), 123 monomers, 13925.62 Da Detail

GHMNSFVGLR VVAKWSSNGY FYSGKITRDV GAGKYKLLFD DGYECDVLGK DILLCDPIPL DTEVTALSED EYFSAGVVKG HRKESGELYY SIEKEGQRKW YKRMAVILSL EQGNRLREQY GLG

2. 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide, entity 2 (polymer, Thiol state: not present), 12 monomers, 1491.799 Da Detail

STSRHKXLMF KT

Total weight

15417.419 Da

Max. entity weight

13925.62 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 94.1 %, Completeness (bb): 91.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.1 % (1492 of 1585)	95.9 % (792 of 826)	94.0 % (582 of 619)	84.3 % (118 of 140)
Backbone	91.3 % (730 of 800)	92.2 % (259 of 281)	92.8 % (359 of 387)	84.8 % (112 of 132)
Sidechain	97.5 % (881 of 904)	97.8 % (533 of 545)	97.4 % (342 of 351)	75.0 % (6 of 8)
Aromatic	89.2 % (141 of 158)	92.4 % (73 of 79)	88.3 % (68 of 77)	0.0 % (0 of 2)
Methyl	100.0 % (132 of 132)	100.0 % (66 of 66)	100.0 % (66 of 66)

1. entity 1

GHMNSFVGLR VVAKWSSNGY FYSGKITRDV GAGKYKLLFD DGYECDVLGK DILLCDPIPL DTEVTALSED EYFSAGVVKG HRKESGELYY SIEKEGQRKW YKRMAVILSL EQGNRLREQY GLG

2. entity 2

STSRHKXLMF KT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	25 mM
8	sodium azide	natural abundance	1.5 mM
9	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
10	p53K382me2	natural abundance	6.0 mM
11	D2O	natural abundance	100 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
12	sodium phosphate	natural abundance	25 mM
13	sodium azide	natural abundance	1.5 mM
14	53BP1-Tudor	natural abundance	2.0 mM
15	p53Kc382me2	[U-100% 13C; U-100% 15N]	0.5 mM
16	D2O	natural abundance	100 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
17	sodium phosphate	natural abundance	25 mM
18	sodium azide	natural abundance	1.5 mM
19	53BP1-Tudor	[U-100% 15N]	2.0 mM
20	p53K382me2	natural abundance	6.0 mM
21	D2O	natural abundance	10 %
22	H2O	natural abundance	90 %

Sample #5

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
23	sodium phosphate	natural abundance	25 mM
24	sodium azide	natural abundance	1.5 mM
25	p53K382me2	natural abundance	2.0 mM
26	D2O	natural abundance	100 %

Sample #6

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
27	sodium phosphate	natural abundance	25 mM
28	sodium azide	natural abundance	1.5 mM
29	p53Kc382me2	[U-100% 13C; U-100% 15N]	0.5 mM
30	D2O	natural abundance	100 %

Protein Blocks Logo

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

Release date

2014-11-17

Citation

Structural plasticity of methyllysine recognition by the tandem tudor domain of 53BP1
Tong, Q., Cui, G., Botuyan, M., Rothbart, S.B., Hayashi, R., Musselman, C.A., Singh, N., Appella, E., Strahl, B.D., Mer, G., Kutateladze, T.G.
Structure (2015), 23, 312-321, PubMed 25579814 , DOI 10.1016/j.str.2014.11.013 , Abstract

Related entities 1. 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide, entity 1, : 5 : 2 entities Detail

Related entities 2. 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide, entity 2, : 1 : 7 : 10 entities Detail

Interaction partners 1. 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide, entity 1, : 19 interactors Detail

More details for 19 interactors identified by 10 citations

Experiments performed 22 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

2 2D 1H-15N HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
17	sodium phosphate	natural abundance	25 mM
18	sodium azide	natural abundance	1.5 mM
19	53BP1-Tudor	[U-100% 15N]	2.0 mM
20	p53K382me2	natural abundance	6.0 mM
21	D2O	natural abundance	10 %
22	H2O	natural abundance	90 %

3 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	25 mM
8	sodium azide	natural abundance	1.5 mM
9	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
10	p53K382me2	natural abundance	6.0 mM
11	D2O	natural abundance	100 %

4 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	25 mM
8	sodium azide	natural abundance	1.5 mM
9	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
10	p53K382me2	natural abundance	6.0 mM
11	D2O	natural abundance	100 %

5 2D 1H-13C HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
12	sodium phosphate	natural abundance	25 mM
13	sodium azide	natural abundance	1.5 mM
14	53BP1-Tudor	natural abundance	2.0 mM
15	p53Kc382me2	[U-100% 13C; U-100% 15N]	0.5 mM
16	D2O	natural abundance	100 %

6 2D 1H-13C HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
23	sodium phosphate	natural abundance	25 mM
24	sodium azide	natural abundance	1.5 mM
25	p53K382me2	natural abundance	2.0 mM
26	D2O	natural abundance	100 %

7 2D 1H-13C HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
27	sodium phosphate	natural abundance	25 mM
28	sodium azide	natural abundance	1.5 mM
29	p53Kc382me2	[U-100% 13C; U-100% 15N]	0.5 mM
30	D2O	natural abundance	100 %

8 3D HNCA

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

9 3D HNCACB

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

10 3D CBCA(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

11 3D HNCO

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

12 3D HN(CA)CO

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

13 3D HBHA(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

14 3D C(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

15 3D H(CCO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

16 3D (H)CCH-TOCSY

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	25 mM
8	sodium azide	natural abundance	1.5 mM
9	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
10	p53K382me2	natural abundance	6.0 mM
11	D2O	natural abundance	100 %

17 3D 1H-15N TOCSY

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
17	sodium phosphate	natural abundance	25 mM
18	sodium azide	natural abundance	1.5 mM
19	53BP1-Tudor	[U-100% 15N]	2.0 mM
20	p53K382me2	natural abundance	6.0 mM
21	D2O	natural abundance	10 %
22	H2O	natural abundance	90 %

18 2D (HB)CB(CGCD)HD

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	25 mM
8	sodium azide	natural abundance	1.5 mM
9	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
10	p53K382me2	natural abundance	6.0 mM
11	D2O	natural abundance	100 %

19 3D 1H-15N NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

20 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

21 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium azide	natural abundance	1.5 mM
3	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
4	p53K382me2	natural abundance	6.0 mM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

22 3D Filtered(13C/15N)-Edited (13C)

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	25 mM
8	sodium azide	natural abundance	1.5 mM
9	53BP1-Tudor	[U-100% 13C; U-100% 15N]	2.0 mM
10	p53K382me2	natural abundance	6.0 mM
11	D2O	natural abundance	100 %

nullKeywords 53BP1, Cell cycle, DNA damage response, Lysine methylation, Tudor domains, p53

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Found 1 Document (3.46 seconds)

BMRB: 25348

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Related entities 1. 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide, entity 1, : 5 : 2 entities Detail

Related entities 2. 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide, entity 2, : 1 : 7 : 10 entities Detail

Interaction partners 1. 53BP1 tandem Tudor domains in complex with a p53K382me2 peptide, entity 1, : 19 interactors Detail

Experiments performed 22 experiments Detail

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