BMRB: 17200

NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide

Authors

Nady, N., Lemak, A., Fares, C., Gutmanas, A., Avvakumov, G., Xue, S., Arrowsmith, C.

Assembly

UHRF1 Tandem Tudor Domains/Histone H3 complex

Entity

1. UHRF1 Tandem Tudor Domains (polymer, Thiol state: all free), 162 monomers, 18856.80 Da Detail

GGMWDETELG LYKVNEYVDA RDTNMGAWFE AQVVRVTRKA PSRDEPCSST SRPALEEDVI YHVKYDDYPE NGVVQMNSRD VRARARTIIK WQDLEVGQVV MLNYNPDNPK ERGFWYDAEI SRKRETRTAR ELYANVVLGD DSLNDCRIIF VDEVFKIERP GE

2. Histone H3 (polymer, Thiol state: not present), 11 monomers, 1290.491 Da Detail

ARTKQTARXS T

Total weight

20147.291 Da

Max. entity weight

18856.8 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 87.7 %, Completeness (bb): 89.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.7 % (1757 of 2004)	89.7 % (940 of 1048)	84.6 % (654 of 773)	89.1 % (163 of 183)
Backbone	89.6 % (912 of 1018)	91.6 % (317 of 346)	88.4 % (448 of 507)	89.1 % (147 of 165)
Sidechain	86.2 % (990 of 1149)	88.6 % (622 of 702)	82.3 % (353 of 429)	83.3 % (15 of 18)
Aromatic	69.2 % (108 of 156)	84.6 % (66 of 78)	54.1 % (40 of 74)	50.0 % (2 of 4)
Methyl	95.9 % (165 of 172)	97.7 % (84 of 86)	94.2 % (81 of 86)

1. UHRF1 Tandem Tudor Domains

GGMWDETELG LYKVNEYVDA RDTNMGAWFE AQVVRVTRKA PSRDEPCSST SRPALEEDVI YHVKYDDYPE NGVVQMNSRD VRARARTIIK WQDLEVGQVV MLNYNPDNPK ERGFWYDAEI SRKRETRTAR ELYANVVLGD DSLNDCRIIF VDEVFKIERP GE

2. Histone H3

ARTKQTARXS T

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	UHRF1 Tandem Tudor Domains	[U-100% 15N]		0.6 mM
2	UHRF1 Tandem Tudor Domains	[U-100% 13C]		0.6 mM
3	Histone H3	natural abundance		3 mM
4	Sodium Phosphate	natural abundance		20 mM
5	Sodium Chloride	natural abundance		250 mM
6	DTT	natural abundance		2 mM
7	Benzamidine	natural abundance		1 mM
8	PMSF	natural abundance		0.5 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
11	UHRF1 Tandem Tudor Domains	[U-100% 15N]		0.6 mM
12	UHRF1 Tandem Tudor Domains	[U-100% 13C]		0.6 mM
13	Histone H3	natural abundance		3 mM
14	Sodium Phosphate	natural abundance		20 mM
15	Sodium Chloride	natural abundance		250 mM
16	DTT	natural abundance		2 mM
17	Benzamidine	natural abundance		1 mM
18	PMSF	natural abundance		0.5 mM
19	Pf1 phage	natural abundance		10 mg/mL
20	H2O	natural abundance		90 %
21	D2O	natural abundance		10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
22	UHRF1 Tandem Tudor Domains	[U-100% 15N]		0.6 mM
23	UHRF1 Tandem Tudor Domains	[U-100% 13C]		0.6 mM
24	Histone H3	natural abundance		3 mM
25	Sodium Phosphate	natural abundance		20 mM
26	Sodium Chloride	natural abundance		250 mM
27	DTT	natural abundance		2 mM
28	Benzamidine	natural abundance		1 mM
29	PMSF	natural abundance		0.5 mM
30	C12E5 peg/hexanol	natural abundance		6 %
31	H2O	natural abundance		90 %
32	D2O	natural abundance		10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
33	UHRF1 Tandem Tudor Domains	[U-100% 15N]		0.6 mM
34	UHRF1 Tandem Tudor Domains	[U-100% 13C]		0.6 mM
35	Histone H3	natural abundance		3 mM
36	Sodium Phosphate	natural abundance		20 mM
37	Sodium Chloride	natural abundance		250 mM
38	DTT	natural abundance		2 mM
39	Benzamidine	natural abundance		1 mM
40	PMSF	natural abundance		0.5 mM
41	C12E5 peg/hexanol	natural abundance		3.3 %
42	H2O	natural abundance		90 %
43	D2O	natural abundance		10 %

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Calculated from 15 models in PDB: 2L3R, Strand ID: A, B Detail

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Release date

2011-05-01

Citation

Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein
Nady, N., Lemak, A., Walker, J.R., Avvakumov, G.V., Kareta, M.S., Achour, M., Xue, S., Duan, S., Allali-Hassani, A., Zuo, X., Wang, Y., Bronner, C., Chedin, F., Arrowsmith, C.H., Dhe-Paganon, S.
J. Biol. Chem. (2011), 286, 24300-24311, PubMed 21489993 , DOI 10.1074/jbc.M111.234104 , Abstract

Related entities 1. UHRF1 Tandem Tudor Domains, : 1 : 6 entities Detail

Experiments performed 22 experiments Detail