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BMRB: 19049

3ZOB

Solution structure of chicken Engrailed 2 homeodomain

Authors

Carlier, L., Balayssac, S., Cantrelle, F., Khemtemourian, L., Chassaing, G., Joliot, A., Lequin, O.

Assembly

Solution structure of chicken Engrailed 2 homeodomain

Entity

1. Solution structure of chicken Engrailed 2 homeodomain (polymer, Thiol state: not present), 67 monomers, 7848.867 Da Detail

GPMASDKRPR TAFTAEQLQR LKAEFQTNRY LTEQRRQSLA QELGLNESQI KIWFQNKRAK IKKATQA

Formula weight

7848.867 Da

Source organism

Exptl. method

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 94.9 %, Completeness (bb): 97.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.9 % (793 of 836)	91.3 % (409 of 448)	99.0 % (307 of 310)	98.7 % (77 of 78)
Backbone	97.7 % (389 of 398)	96.3 % (129 of 134)	98.5 % (196 of 199)	98.5 % (64 of 65)
Sidechain	93.0 % (468 of 503)	89.2 % (280 of 314)	99.4 % (175 of 176)	100.0 % (13 of 13)
Aromatic	100.0 % (50 of 50)	100.0 % (25 of 25)	100.0 % (24 of 24)	100.0 % (1 of 1)
Methyl	51.6 % (32 of 62)	3.2 % (1 of 31)	100.0 % (31 of 31)

1. HOMEOBOX PROTEIN ENGRAILED-2

GPMASDKRPR TAFTAEQLQR LKAEFQTNRY LTEQRRQSLA QELGLNESQI KIWFQNKRAK IKKATQA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

LACS Plot; CA

Referencing offset: -0.2 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.2 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

Referencing offset: -0.57 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 3ZOB, Strand ID: A Detail

Release date

2013-08-13

Citation

Investigation of homeodomain membrane translocation properties: insights from the structure determination of engrailed-2 homeodomain in aqueous and membrane-mimetic environments
Carlier, L., Balayssac, S., Cantrelle, F., Khemtemourian, L., Chassaing, G., Joliot, A., Lequin, O.
Biophys. J. (2013), 105, 667-678, PubMed 23931315 , DOI 10.1016/j.bpj.2013.06.024 , Abstract

Related entities 1. Solution structure of chicken Engrailed 2 homeodomain, : 1 : 6 : 288 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

2 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

4 3D HBHA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

5 3D HNCA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

6 3D HN(CO)CA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

7 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

8 3D HN(CA)CO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

9 3D 15N TOCSY-HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

10 3D HCCH TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

11 2D (HB)CB(CGCD)HD

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

12 2D NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

13 3D 15N NOESY-HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

14 3D 13C NOESY-HMQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

15 3D HNHA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

16 3D HNHB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 303.000 K, pH 4.700, Details Unlabeled Engrailed 2 homeodomain 1 mM

#	Name	Isotope labeling	Type	Concentration
1	HOMEOBOX PROTEIN ENGRAILED-2	natural abundance		1 mM
2	D2O	natural abundance		10 %
3	sodium azide	natural abundance		0.02 %
4	sodium succinate	natural abundance		50 mM
5	TMSP	natural abundance		0.1 mM
6	H2O	natural abundance		90 %

nullKeywords cell-penetrating peptide, DNA-binding protein, homeobox