BMRB: 5899

NMR Solution Structure of BeF3-Activated Spo0F, 20 conformers

Authors

Gardino, A.K., Volkman, B.F., Cho, H.S., Lee, S.Y., Wemmer, D.E., Kern, D.

Assembly

Sporulation initiation phosphotransferase F

Entity

1. Sporulation initiation phosphotransferase F (polymer, Thiol state: not present), 124 monomers, 14227.52 Da Detail

MMNEKILIVD DQYGIRILLN EVFNKEGYQT FQAANGLQAL DIVTKERPDL VLLDMKIPGM DGIEILKRMK VIDENIRVII MTAYGELDMI QESKELGALT HFAKPFDIDE IRDAVKKYLP LKSN

Formula weight

14227.52 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

Torsion angle dynamics and simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 81.2 %, Completeness (bb): 82.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	81.2 % (1226 of 1509)	84.6 % (668 of 790)	73.5 % (432 of 588)	96.2 % (126 of 131)
Backbone	82.7 % (609 of 736)	97.6 % (245 of 251)	67.7 % (247 of 365)	97.5 % (117 of 120)
Sidechain	81.6 % (726 of 890)	78.5 % (423 of 539)	86.5 % (294 of 340)	81.8 % (9 of 11)
Aromatic	51.3 % (39 of 76)	55.3 % (21 of 38)	47.4 % (18 of 38)
Methyl	95.2 % (158 of 166)	95.2 % (79 of 83)	95.2 % (79 of 83)

1. Sporulation initiation phosphotransferase F

MMNEKILIVD DQYGIRILLN EVFNKEGYQT FQAANGLQAL DIVTKERPDL VLLDMKIPGM DGIEILKRMK VIDENIRVII MTAYGELDMI QESKELGALT HFAKPFDIDE IRDAVKKYLP LKSN

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.85

#	Name	Isotope labeling	Type	Concentration
1	Sporulation initiation phosphotransferase F	[U-15N; U-13C]		1 mM
2	HEPES			20 mM
3	MgCl2			50 mM
4	BeCl2			6 mM
5	NaF			60 mM
6	D2O			10 %
7	H2O			90 %

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LACS Plot; CA

Referencing offset: -0.11 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: -0.11 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; HA

Referencing offset: 0.03 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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Protein Blocks Logo

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

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Release date

2003-10-05

Citation

The NMR solution structure of BeF(3)(-)-activated Spo0F reveals the conformational switch in a phosphorelay system
Gardino, A.K., Volkman, B.F., Cho, H.S., Lee, S.Y., Wemmer, D.E., Kern, D.
J. Mol. Biol. (2003), 331, 245-254, PubMed 12875849 , DOI: , Abstract

Related entities 1. Sporulation initiation phosphotransferase F, : 1 : 5 : 7 : 274 entities Detail

Interaction partners 1. Sporulation initiation phosphotransferase F, : 6 interactors Detail

Experiments performed 2 experiments Detail