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BMRB: 25312

4D4W

SOLUTION STRUCTURE OF HUMAN MBD1 CXXC1 DOMAIN

Authors

Thomson, R., Smith, B.O.

Assembly

MBD1 CXXC1

Entity

1. MBD1 CXXC1 (polymer, Thiol state: all free), 61 monomers, 6678.752 Da Detail

GPLGSEQRMF KRVGCGECAA CQVTEDCGAC STCLLQLPHD VASGLFCKCE RRRCLRIVER S

2. MBD1 CXXC1, entity ZN (non-polymer), 65.409 Da

Total weight

6744.161 Da

Max. entity weight

6678.752 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, heteronucl_T1_relaxation, heteronucl_T2_relaxation, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 88.3 %, Completeness (bb): 95.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	88.3 % (363 of 411)	86.8 % (303 of 349)	96.8 % (60 of 62)
Backbone	95.7 % (177 of 185)	95.2 % (120 of 126)	96.6 % (57 of 59)
Sidechain	82.7 % (187 of 226)	82.5 % (184 of 223)	100.0 % (3 of 3)
Aromatic	50.0 % (6 of 12)	50.0 % (6 of 12)
Methyl	89.3 % (25 of 28)	89.3 % (25 of 28)

1. MBD1 CXXC1

GPLGSEQRMF KRVGCGECAA CQVTEDCGAC STCLLQLPHD VASGLFCKCE RRRCLRIVER S

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

Protein Blocks Logo

Calculated from 25 models in PDB: 4D4W, Strand ID: A Detail

Heteronucl. T₁

55 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600.133 MHz, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500 Detail

Heteronucl. T₂

53 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600.133 MHz, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500 Detail

Heteronucl. T₁/T₂

53 T₁/T₂ values in 1 lists
Field strength (¹H) 600.133 MHz, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500 Detail

Release date

2015-09-20

Citation 1

Solution structure of human MBD1 CXXC1
Thomson, R., Smith, B.O.
J. Biomol. NMR (2015), 63, 309-314, PubMed 26354109 , DOI 10.1007/s10858-015-9986-8 , Abstract

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Citation 2

Solution structure of hMBD1 CXXC1
Thomson, R.

Hide non-primary 1 citaion

Related entities 1. MBD1 CXXC1, : 1 : 2 : 16 entities Detail

Interaction partners 1. MBD1 CXXC1, : 19 interactors Detail

More details for 19 interactors identified by 8 citations

Experiments performed 14 experiments Detail

1 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

2 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

3 2D 1H-15N HSQC/HMQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

4 3D 1H-15N TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

5 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

6 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

8 T2 (H[n[T2(N)]])

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

9 T1 (H[n[T1(N)]])

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

10 HNHA (H{[N]+[HA]})

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

11 3D HNHB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

12 2D 1H-15N HSQC/HMQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

13 2D 1H-15N HSQC/HMQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500

#	Name	Isotope labeling	Type	Concentration
1	MBD1_CXXC1	[U-15N]		1.0 mM
2	NaCl	natural abundance		250.0 mM
3	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

14 HNHB

Instrument

Bruker AVANCE - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 293.000 K, pH 7.500, Details MBD1_CXXC1 0.001000 M, NaCl 0.250000 M, tris(hydroxymethyl)aminomethane 0.010000 M

#	Name	Isotope labeling	Type	Concentration
4	MBD1_CXXC1	[U-13C; U-15N]		0.0010000 M
5	NaCl	natural abundance		250.0 mM
6	tris(hydroxymethyl)aminomethane	natural abundance		10.0 mM

nullKeywords CXXC, MBD1, NMR, TRANSCRIPTION