BMRB: 4936

1H, 13C and 15N chemical shift assignments of the outer membrane protein OmpX from E.coli in DHPC micelles

Authors

Fernandez, C., Adeishvili, K., Wuthrich, K.

Assembly

Outer membrane protein X in DHPC micelles

Entity

1. Outer membrane protein X in DHPC micelles (polymer, Thiol state: not present), 148 monomers, 16396.71 Da Detail

ATSTVTGGYA QSDAQGQMNK MGGFNLKYRY EEDNSPLGVI GSFTYTEKSR TASSGDYNKN QYYGITAGPA YRINDWASIY GVVGVGYGKF QTTEYPTYKH DTTDYGFSYG AGLQFNPMEN VALDFSYEQS RIRSVDVGTW IAGVGYRF

Formula weight

16396.71 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS (DYANA)

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 43.6 %, Completeness (bb): 79.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	43.6 % (728 of 1671)	20.5 % (176 of 857)	63.1 % (412 of 653)	87.0 % (140 of 161)
Backbone	79.8 % (702 of 880)	49.4 % (154 of 312)	96.2 % (408 of 424)	97.2 % (140 of 144)
Sidechain	15.9 % (146 of 919)	4.0 % (22 of 545)	34.7 % (124 of 357)	0.0 % (0 of 17)
Aromatic	0.0 % (0 of 226)	0.0 % (0 of 113)	0.0 % (0 of 111)	0.0 % (0 of 2)
Methyl	14.8 % (18 of 122)	8.2 % (5 of 61)	21.3 % (13 of 61)

1. Outer membrane protein X

ATSTVTGGYA QSDAQGQMNK MGGFNLKYRY EEDNSPLGVI GSFTYTEKSR TASSGDYNKN QYYGITAGPA YRINDWASIY GVVGVGYGKF QTTEYPTYKH DTTDYGFSYG AGLQFNPMEN VALDFSYEQS RIRSVDVGTW IAGVGYRF

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Sample

Temperature 303 (±1) K, pH 6.8 (±0.2), Details the 2H labeling range is 85-100%

#	Name	Isotope labeling	Type	Concentration
1	Outer membrane protein X	[U-98% 13C; U-98% 15N; U-2H]		2.0 mM
2	DHPC			300 mM
3	H2O			97 %
4	D2O			3 %
5	KPO4			20 mM
6	NaCl			100 mM

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LACS Plot; CA

Referencing offset: 0.58 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; CB

Referencing offset: 0.58 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CO

Referencing offset: 0.9 ppm, Outliers: 4 Detail

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Chemical shift reference

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

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Protein Blocks Logo

Calculated from 20 models in PDB: 1ORM, Strand ID: A Detail

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Release date

2001-07-30

Citation 1

Transverse relaxation-optimized NMR spectroscopy with the outer membrane protein OmpX in dihexanoyl phosphatidylcholine micelles
Fernandez, C., Adeishvili, K., Wuthrich, K.
Proc. Natl. Acad. Sci. U. S. A. (2001), 98, 2358-2363, PubMed 11226244 , DOI 10.1073/pnas.051629298 , Abstract

Show more 1 citaion

Citation 2

The program XEASY for computer-supported NMR spectral analysis of biological macromolecules
Bartels, C., Xia, T., Billeter, M., Guntert, P., Wuthrich, K.
J. Biomol. NMR (1995), 6, 1-10, PubMed 22911575 , DOI 10.1007/BF00417486 , Abstract

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Related entities 1. Outer membrane protein X in DHPC micelles, : 1 : 9 : 10 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail