BMRB: 7317

Backbone 1HN, 15N, and 13C Chemical Shift Assignments for wt Im7* (* denotes his-tag) and its variants, Im7*L53AI54A and Im7*YY

Authors

Whittaker, S.B.-M., Spence, G.R., Grossmann, G.J., Radford, S.E., Moore, G.R.

Assembly

Monomer

Entity

1. Monomer (polymer, Thiol state: not present), 94 monomers, 10762.65 Da Detail

MEHHHHHHEL KNSISDYTEA EFVQLLKEIE KENVAATDDV LDVLLEHFVK ITEHPDGTDA AYYPSDNRDD SPEGIVKEIK EWRAANGKPG FKQG

Formula weight

10762.65 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 80.9 %, Completeness: 34.4 %, Completeness (bb): 61.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	34.4 % (374 of 1088)	18.1 % (102 of 565)	48.4 % (206 of 426)	68.0 % (66 of 97)
Backbone	61.2 % (340 of 556)	38.6 % (73 of 189)	72.6 % (201 of 277)	73.3 % (66 of 90)
Sidechain	15.0 % (93 of 621)	7.7 % (29 of 376)	26.9 % (64 of 238)	0.0 % (0 of 7)
Aromatic	10.2 % (10 of 98)	12.2 % (6 of 49)	8.3 % (4 of 48)	0.0 % (0 of 1)
Methyl	7.8 % (7 of 90)	4.4 % (2 of 45)	11.1 % (5 of 45)

1. L53AI54A

MEHHHHHHEL KNSISDYTEA EFVQLLKEIE KENVAATDDV LDVLLEHFVK ITEHPDGTDA AYYPSDNRDD SPEGIVKEIK EWRAANGKPG FKQG

Show sample condition

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.2), Details doubly-labelled (13C/15N) Im7*L53AI54A sample for backbone resonance assignments.

#	Name	Isotope labeling	Type	Concentration
1	Im7*	[U-13C; U-15N]	protein	1 (±0.2) mM
2	potassium phosphate buffer			50 mM
3	sodium sulphate			400 mM
4	H2O			90 %
5	D2O			10 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.2), Details singly-labelled (15N) Im7*L53AI54A sample for relaxation data measurement and 15N-edited NOESY experiment.

#	Name	Isotope labeling	Type	Concentration
6	Im7*	[U-99% 15N]	protein	1 (±0.2) mM
7	potassium phosphate buffer			50 mM
8	sodium sulphate			400 mM
9	H2O			90 %
10	D2O			10 %

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LACS Plot; CA

Referencing offset: -0.2 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: -0.2 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: 0.21 ppm, Outliers: 2 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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Release date

2007-05-03

Citation

NMR analysis of the conformational properties of the trapped on-pathway folding intermediate of the bacterial immunity protein Im7
Whittaker, S.B.-M., Spence, G.R., Grossmann, G.J., Radford, S.E., Moore, G.R.
J. Mol. Biol. (2007), 366, 1001-1015, PubMed 17188712 , DOI 10.1016/j.jmb.2006.11.012 , Abstract

Related entities 1. Monomer, : 1 : 12 : 43 entities Detail

Interaction partners 1. Monomer, : 3 interactors Detail

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail