BMRB Entry 17200

Name: NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide
Published: 2011-05-02

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PDB ID: 2l3r
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17200
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide PubMed: 21489993

Deposition date: 2010-09-21 Original release date: 2011-05-02

Authors: Nady, Nataliya; Lemak, Alexander; Fares, Christopher; Gutmanas, Aleksandras; Avvakumov, George; Xue, Sheng; Arrowsmith, Cheryl

Citation: Nady, Nataliya; Lemak, Alexander; Walker, John; Avvakumov, George; Kareta, Michael; Achour, Mayada; Xue, Sheng; Duan, Shili; Allali-Hassani, Abdellah; Zuo, Xiaobing; Wang, Yun-Xing; Bronner, Christian; Chedin, Frederic; Arrowsmith, Cheryl; Dhe-Paganon, Sirano. "Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein." J. Biol. Chem. 286, 24300-24311 (2011).

Assembly members:
UHRF1 Tandem Tudor Domains, polymer, 162 residues, 18824.107 Da.
Histone H3, polymer, 11 residues, 1293.529 Da.

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
UHRF1 Tandem Tudor Domains: GGMWDETELGLYKVNEYVDA RDTNMGAWFEAQVVRVTRKA PSRDEPCSSTSRPALEEDVI YHVKYDDYPENGVVQMNSRD VRARARTIIKWQDLEVGQVV MLNYNPDNPKERGFWYDAEI SRKRETRTARELYANVVLGD DSLNDCRIIFVDEVFKIERP GE
Histone H3: ARTKQTARXST

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	644
15N chemical shifts	160
1H chemical shifts	1122

Additional metadata:

Assembly
Samples and Experiments
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Entity Assembly ID	Entity Name	Entity ID
1	UHRF1 Tandem Tudor Domains	1
2	Histone H3	2

Samples:

sample_1: UHRF1 Tandem Tudor Domains, [U-100% 15N], 0.6 mM; UHRF1 Tandem Tudor Domains, [U-100% 13C], 0.6 mM; Histone H3 3 mM; Sodium Phosphate 20 mM; Sodium Chloride 250 mM; DTT 2 mM; Benzamidine 1 mM; PMSF 0.5 mM; H2O 90%; D2O 10%

sample_2: UHRF1 Tandem Tudor Domains, [U-100% 15N], 0.6 mM; UHRF1 Tandem Tudor Domains, [U-100% 13C], 0.6 mM; Histone H3 3 mM; Sodium Phosphate 20 mM; Sodium Chloride 250 mM; DTT 2 mM; Benzamidine 1 mM; PMSF 0.5 mM; Pf1 phage 10 mg/ml; H2O 90%; D2O 10%

sample_3: UHRF1 Tandem Tudor Domains, [U-100% 15N], 0.6 mM; UHRF1 Tandem Tudor Domains, [U-100% 13C], 0.6 mM; Histone H3 3 mM; Sodium Phosphate 20 mM; Sodium Chloride 250 mM; DTT 2 mM; Benzamidine 1 mM; PMSF 0.5 mM; C12E5 peg/hexanol 6%; H2O 90%; D2O 10%

sample_4: UHRF1 Tandem Tudor Domains, [U-100% 15N], 0.6 mM; UHRF1 Tandem Tudor Domains, [U-100% 13C], 0.6 mM; Histone H3 3 mM; Sodium Phosphate 20 mM; Sodium Chloride 250 mM; DTT 2 mM; Benzamidine 1 mM; PMSF 0.5 mM; C12E5 peg/hexanol 3.3%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 250 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
Aro-NOESY	sample_1	isotropic	sample_conditions_1
Aro-2D-1H-13C HSQC	sample_1	isotropic	sample_conditions_1
Aro-3D-TOCSY	sample_1	isotropic	sample_conditions_1
2D-TOCSY	sample_1	isotropic	sample_conditions_1
3D-Edited-15N/13C NOESY	sample_1	isotropic	sample_conditions_1
IPAP-15N-1H HSQC	sample_1	isotropic	sample_conditions_1
J-evolution-13CO-13CA	sample_1	isotropic	sample_conditions_1
J-evolution-15N-13CO	sample_1	isotropic	sample_conditions_1
IPAP-15N-1H HSQC	sample_2	anisotropic	sample_conditions_1
IPAP-15N-1H HSQC	sample_3	anisotropic	sample_conditions_1
IPAP-15N-1H HSQC	sample_4	anisotropic	sample_conditions_1
J-evolution-13CO-13CA	sample_4	anisotropic	sample_conditions_1
J-evolution-15N-13CO	sample_4	anisotropic	sample_conditions_1

PDB	2L3R 3DB3 3DB4 4GY5 4QQD
DBJ	BAF36719 BAF36720 BAF82078 BAG37156
GB	AAF28469 AAI13876 AAK55744 AAV40831 ABQ59043
REF	NP_001041666 NP_001276979 NP_001276980 NP_001276981 NP_037414
SP	Q96T88

Biological Magnetic Resonance Data Bank

BMRB Entry 17200

Title: NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide PubMed: 21489993

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