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BMRB: 17138

2L2L

Solution structure of the coiled-coil complex between MBD2 and p66alpha

Authors

Williams, D.C., Scarsdale, J.NEEL.

Assembly

MBD2/p66-alpha complex

Entity

1. p66-alpha (polymer, Thiol state: not present), 43 monomers, 5104.919 Da Detail

GSPEERERMI KQLKEELRLE EAKLVLLKKL RQSQIQKEAT AQK

2. MBD2 (polymer, Thiol state: not present), 36 monomers, 4174.730 Da Detail

GSKAFIVTDE DIRKQEERVQ QVRKKLEEAL MADILS

Total weight

9279.648 Da

Max. entity weight

5104.919 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.2 %, Completeness: 94.5 %, Completeness (bb): 95.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.5 % (931 of 985)	93.6 % (496 of 530)	97.6 % (360 of 369)	87.2 % (75 of 86)
Backbone	95.3 % (450 of 472)	94.3 % (150 of 159)	96.2 % (226 of 235)	94.9 % (74 of 78)
Sidechain	94.4 % (557 of 590)	93.3 % (346 of 371)	99.5 % (210 of 211)	12.5 % (1 of 8)
Aromatic	100.0 % (10 of 10)	100.0 % (5 of 5)	100.0 % (5 of 5)
Methyl	100.0 % (92 of 92)	100.0 % (46 of 46)	100.0 % (46 of 46)

1. p66-alpha

GSPEERERMI KQLKEELRLE EAKLVLLKKL RQSQIQKEAT AQK

2. MBD2

GSKAFIVTDE DIRKQEERVQ QVRKKLEEAL MADILS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar ratio of 13C15N-MBD2 and unlabeled p66a

#	Name	Isotope labeling	Concentration
5	MBD2	[U-100% 13C; U-100% 15N]	1.0 mM
6	p66-alpha	natural abundance	1.0 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details triple labeled sample for RDC measurements

#	Name	Isotope labeling	Concentration
9	p66-alpha	[U-100% 13C; U-100% 15N; U-80% 2H]	1.0 mM
10	MBD2	[U-100% 13C; U-100% 15N; U-80% 2H]	1.0 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2L2L, Strand ID: A, B Detail

Release date

2012-08-01

Citation

Solution structure and functional analyses of a coiled-coil interaction between MBD2 and p66alpha integral to the formation of the MeCP1 nucleosome remodeling complex
Gnanapragasam, M.N., Scarsdale, J.N., Amaya, M.L., Webb, H.D., Walavalkar, N.M., Ginder, G.D., David, W.C.
Not known

Related entities 1. p66-alpha, : 1 : 5 : 7 entities Detail

Related entities 2. MBD2, : 1 : 4 : 27 entities Detail

Interaction partners 1. p66-alpha, : 36 : 1 interactors Detail

More details for 37 interactors identified by 17 citations

Interaction partners 2. MBD2, : 10 interactors Detail

More details for 10 interactors identified by 5 citations

Experiments performed 22 experiments Detail

1 3D HNCO

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

2 3D HNCA

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

3 3D HNCACB

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

4 3D HBHA(CO)NH

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

5 3D CBCA(CO)NH

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

6 3D HN(CO)CA

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

7 3D 1H-15N NOESY

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

8 3D 1H-13C NOESY

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

9 3D C(CO)NH

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

10 2D 1H-15N HSQC

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 molar mixture of 15N13C-p66a and unlabeled MBD2

#	Name	Isotope labeling	Concentration
1	p66-alpha	[U-99% 13C; U-99% 15N]	1.0 mM
2	MBD2	natural abundance	1.0 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

11 3D HNCO