BMRB: 7323

1H, 13C and 15N nmr chemical shift assignments for the colicin immunity protein IM2

Authors

Boetzel, R., Morel, B., Macdonald, C.J., Le Duff, C.S., Spronk, C.A.E.M., Bonvin, A.J.J.M., James, R., Kleanthous, C., Moore, G.R.

Assembly

Colicin immunity protein IM2

Entity

1. Colicin immunity protein IM2 (polymer, Thiol state: all free), 86 monomers, 9994.886 Da Detail

MELKHSISDY TEAEFLEFVK KICRAEGATE EDDNKLVREF ERLTEHPDGS DLIYYPRDDR EDSPEGIVKE IKEWRAANGK SGFKQG

Formula weight

9994.886 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 89.0 %, Completeness (bb): 82.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.0 % (901 of 1012)	96.1 % (513 of 534)	77.5 % (303 of 391)	97.7 % (85 of 87)
Backbone	82.0 % (418 of 510)	96.6 % (169 of 175)	66.7 % (168 of 252)	97.6 % (81 of 83)
Sidechain	95.7 % (557 of 582)	94.7 % (340 of 359)	97.3 % (213 of 219)	100.0 % (4 of 4)
Aromatic	100.0 % (84 of 84)	100.0 % (42 of 42)	100.0 % (41 of 41)	100.0 % (1 of 1)
Methyl	100.0 % (68 of 68)	100.0 % (34 of 34)	100.0 % (34 of 34)

1. IM2

MELKHSISDY TEAEFLEFVK KICRAEGATE EDDNKLVREF ERLTEHPDGS DLIYYPRDDR EDSPEGIVKE IKEWRAANGK SGFKQG

Show sample condition

Sample

Temperature 298 (±0.05) K, pH 6.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	IM2	[U-100% 13C; U-100% 15N]		1.8 mM
2	Sodium Azide			14 mM
3	DTT			5 mM
4	Potassium Phosphate			50 mM

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LACS Plot; CA

Referencing offset: -0.42 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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LACS Plot; CB

Referencing offset: -0.42 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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LACS Plot; HA

Referencing offset: 0.06 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 60 models in PDB: 2NO8, Strand ID: A Detail

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Release date

2011-05-26

Citation

The structural and energetic basis for high selectivity in a high-affinity protein-protein interaction
Meenana, N.A.G., Sharmaa, A., Fleishmanb, S.J., MacDonaldc, C.J., Morelc, B., Boetzelc, R., Moorec, G.R., Bakerb, D., Kleanthousa, C.
Proc. Natl. Acad. Sci. U. S. A. (2010), 107, 10080-10085, PubMed 20479265 , DOI 10.1073/pnas.0910756107 , Abstract

Related entities 1. Colicin immunity protein IM2, : 1 : 2 : 1 : 50 entities Detail

Interaction partners 1. Colicin immunity protein IM2, : 1 interactors Detail

Experiments performed 8 experiments Detail