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BMRB: 11548

2RU5

DESIGNED ARMADILLO REPEAT PROTEIN FRAGMENT (MAII)

Authors

Zerbe, O., Christen, M.T., Plueckthun, A., Watson, R.W.

Assembly

MA

Entity

1. MA (polymer, Thiol state: not present), 84 monomers, 9096.004 Da Detail

GNEQIQAVID AGALPALVQL LSSPNEQILQ EALWALSNIA SGGNEQKQAV KEAGALEKLE QLQSHENEKI QKEAQEALEK LQSH

Formula weight

9096.004 Da

Exptl. method

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 79.8 %, Completeness: 74.7 %, Completeness (bb): 78.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.7 % (722 of 966)	74.0 % (375 of 507)	78.8 % (283 of 359)	64.0 % (64 of 100)
Backbone	78.2 % (391 of 500)	77.8 % (133 of 171)	78.5 % (194 of 247)	78.0 % (64 of 82)
Sidechain	72.5 % (395 of 545)	72.0 % (242 of 336)	80.1 % (153 of 191)	0.0 % (0 of 18)
Aromatic	20.0 % (4 of 20)	20.0 % (2 of 10)	22.2 % (2 of 9)	0.0 % (0 of 1)
Methyl	78.8 % (82 of 104)	78.8 % (41 of 52)	78.8 % (41 of 52)

1. MA

GNEQIQAVID AGALPALVQL LSSPNEQILQ EALWALSNIA SGGNEQKQAV KEAGALEKLE QLQSHENEKI QKEAQEALEK LQSH

Show sample condition

Sample

Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2RU5, Strand ID: B Detail

Release date

2014-07-20

Citation

Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure
Watson, R.W., Christen, M.T., Ewald, C., Bumback, F., Reichen, C., Mihajlovic, M., Schmidt, E., Guntert, P., Caflisch, A., Plueckthun, A., Zerbe, O.
Structure (2014), 22, 985-995, PubMed 24931467 , DOI 10.1016/j.str.2014.05.002 , Abstract

Related entities 1. MA, : 1 : 12 : 3 : 1217 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 700 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

3 3D HNCO

Instrument

Bruker Avance - 600 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

4 3D HNCACO

Instrument

Bruker Avance - 600 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

5 3D HNCACB

Instrument

Bruker Avance - 700 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

7 3D H(CCO)NH

Instrument

Bruker Avance - 700 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

8 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 700 MHz Institute of Organic Chemistry, University of Zuerich

Sample

State isotropic, Solvent system 88% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	MA	[U-13C; U-15N]	protein	0.75 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		150 mM
4	glycerol	natural abundance	solvent	2 %
5	TMSP	natural abundance		1 mM
6	sodium azide	natural abundance		0.02 %
7	H2O		solvent	88 %
8	D2O		solvent	10 %

nullKeywords Armadillo repeat motif, De novo protein, self-assembly, solenoid repeat, solution complex