BMRB: 15045

NMR SOLUTION STRUCTURE OF A MINIMAL TRANSMEMBRANE BETA-BARREL PLATFORM PROTEIN

Authors

Johansson, M.U., Alioth, S., Hu, K., Walser, R., Koebnik, R., Pervushin, K.

Assembly

BBP+EF in DHPC micelles

Entity

1. BBP+EF in DHPC micelles (polymer, Thiol state: not present), 156 monomers, 17183.99 Da Detail

MPKDNTWYTG AKLGWSQYSR ENQLGAGAFG GYQVNPYVGF EMGYDWLGRM PRKAQGVQLT AKLGYPKLGT DDLDIYTRLG GMVWRADTSD KDGNGYISAA EASVSPVFAG GVEYVIRRRI TPEIATRLEY QWTNNASDNG MLSLGVSYRF GQGEAA

Formula weight

17183.99 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 75.6 %, Completeness: 34.0 %, Completeness (bb): 61.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	34.0 % (601 of 1767)	16.7 % (153 of 914)	48.5 % (332 of 684)	68.6 % (116 of 169)
Backbone	61.8 % (571 of 924)	39.3 % (129 of 328)	73.1 % (326 of 446)	77.3 % (116 of 150)
Sidechain	12.8 % (125 of 977)	4.1 % (24 of 586)	27.2 % (101 of 372)	0.0 % (0 of 19)
Aromatic	0.0 % (0 of 188)	0.0 % (0 of 94)	0.0 % (0 of 89)	0.0 % (0 of 5)
Methyl	11.6 % (17 of 146)	5.5 % (4 of 73)	17.8 % (13 of 73)

1. BBP+EF

MPKDNTWYTG AKLGWSQYSR ENQLGAGAFG GYQVNPYVGF EMGYDWLGRM PRKAQGVQLT AKLGYPKLGT DDLDIYTRLG GMVWRADTSD KDGNGYISAA EASVSPVFAG GVEYVIRRRI TPEIATRLEY QWTNNASDNG MLSLGVSYRF GQGEAA

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	BBP+EF	[U-100% 13C; U-100% 15N; 80% 2H]		1 mM
2	H2O			90 %
3	D2O			10 %

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LACS Plot; CA

Referencing offset: 0.65 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.65 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.99 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

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

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Release date

2007-05-20

Citation

A minimal transmembrane beta-barrel platform protein studied by nuclear magnetic resonance
Johansson, M.U., Alioth, S., Hu, K., Walser, R., Koebnik, R., Pervushin, K.
Biochemistry (2007), 46, 1128-1140, PubMed 17260943 , DOI 10.1021/bi061265e , Abstract

Related entities 1. BBP+EF in DHPC micelles, : 1 : 24 entities Detail

Experiments performed 8 experiments Detail