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BMRB: 18520

2LUG

Chemical shift assignments of a S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP) in association with dodecylphosphocholine micelles

Authors

Ahmed, M.A. M., De Avila, M., Polverini, E., Bessonov, K., Bamm, V.V., Harauz, G.

Assembly

S72-S107 peptide of 18.5kDa murine MBP

Entity

1. S72-S107 peptide of 18.5kDa murine MBP (polymer, Thiol state: not present), 36 monomers, 3970.367 Da Detail

SQHGRTQDEN PVVHFFKNIV TPRTPPPSQG KGRGLS

2. dodecyl 2-(trimethylammonio)ethyl phosphate (non-polymer), 351.462 Da

Total weight

4321.829 Da

Max. entity weight

3970.367 Da

Source organism

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 80.6 %, Completeness (bb): 94.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.6 % (337 of 418)	72.6 % (162 of 223)	90.6 % (144 of 159)	86.1 % (31 of 36)
Backbone	94.7 % (195 of 206)	90.1 % (64 of 71)	96.2 % (100 of 104)	100.0 % (31 of 31)
Sidechain	71.3 % (174 of 244)	64.5 % (98 of 152)	87.4 % (76 of 87)	0.0 % (0 of 5)
Aromatic	10.7 % (3 of 28)	0.0 % (0 of 14)	21.4 % (3 of 14)
Methyl	100.0 % (26 of 26)	100.0 % (13 of 13)	100.0 % (13 of 13)

1. S72-S107 peptide of 18.5kDa murine MBP

SQHGRTQDEN PVVHFFKNIV TPRTPPPSQG KGRGLS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	S72-S107 MBP peptide	[U-100% 13C; U-100% 15N]		1.47 mM
2	potassium phosphate	natural abundance		50 mM
3	Dodecylphosphocholine	Deuterated		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

Protein Blocks Logo

Calculated from 10 models in PDB: 2LUG, Strand ID: A Detail

Release date

2012-09-16

Citation

Solution nuclear magnetic resonance structure and molecular dynamics simulations of a murine 18.5 kDa myelin basic protein segment (S72-S107) in association with dodecylphosphocholine micelles
Ahmed, M.A.M., De Avila, M., Polverini, E., Bessonov, K., Bamm, V.V., Harauz, G.
Biochemistry (2012), 51, 7475-7487, PubMed 22947219 , DOI 10.1021/bi300998x , Abstract

Related entities 1. S72-S107 peptide of 18.5kDa murine MBP, : 1 : 9 : 14 entities Detail

Interaction partners 1. S72-S107 peptide of 18.5kDa murine MBP, : 12 interactors Detail

More details for 12 interactors identified by 10 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	S72-S107 MBP peptide	[U-100% 13C; U-100% 15N]		1.47 mM
2	potassium phosphate	natural abundance		50 mM
3	Dodecylphosphocholine	Deuterated		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

2 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	S72-S107 MBP peptide	[U-100% 13C; U-100% 15N]		1.47 mM
2	potassium phosphate	natural abundance		50 mM
3	Dodecylphosphocholine	Deuterated		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

3 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	S72-S107 MBP peptide	[U-100% 13C; U-100% 15N]		1.47 mM
2	potassium phosphate	natural abundance		50 mM
3	Dodecylphosphocholine	Deuterated		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	S72-S107 MBP peptide	[U-100% 13C; U-100% 15N]		1.47 mM
2	potassium phosphate	natural abundance		50 mM
3	Dodecylphosphocholine	Deuterated		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

5 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	S72-S107 MBP peptide	[U-100% 13C; U-100% 15N]		1.47 mM
2	potassium phosphate	natural abundance		50 mM
3	Dodecylphosphocholine	Deuterated		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

6 3D HACAN

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	S72-S107 MBP peptide	[U-100% 13C; U-100% 15N]		1.47 mM
2	potassium phosphate	natural abundance		50 mM
3	Dodecylphosphocholine	Deuterated		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

7 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	S72-S107 MBP peptide	[U-100% 13C; U-100% 15N]		1.47 mM
2	potassium phosphate	natural abundance		50 mM
3	Dodecylphosphocholine	Deuterated		100 mM
4	D2O	natural abundance		10 %
5	H2O	natural abundance		90 %

nullKeywords dodecylphosphocholine micelles, intrinsically disordered proteins, myelin basic protein, myelin membrane, NMR spectroscopy, peptide