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BMRB: 25124

2MSK

Solution Structure and Chemical Shift Assignments for BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C

Authors

Clarkson, M.W., Pontiggia, F., Villali, J., Kern, D.

Assembly

BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C

Entity

1. BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C (polymer, Thiol state: all free), 124 monomers, 13623.50 Da Detail

MQRGIVWVVD DDSSIRWVLE RALAGAGLTC TTFENGNEVL AALASKTPDV LLSDIRMPGM DGLALLKQIK QRHPMLPVII MTAHSDLDAA VSAYQQGAFD YLPKPFDIDE AVALVERAIS HYQE

Formula weight

13623.5 Da

Source organism

Salmonella enterica subsp. enterica serovar Typhimurium

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.1 %, Completeness (bb): 97.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.1 % (1380 of 1407)	98.1 % (708 of 722)	98.0 % (546 of 557)	98.4 % (126 of 128)
Backbone	97.8 % (716 of 732)	98.4 % (245 of 249)	97.3 % (355 of 365)	98.3 % (116 of 118)
Sidechain	98.5 % (780 of 792)	97.9 % (463 of 473)	99.4 % (307 of 309)	100.0 % (10 of 10)
Aromatic	100.0 % (90 of 90)	100.0 % (45 of 45)	100.0 % (43 of 43)	100.0 % (2 of 2)
Methyl	100.0 % (168 of 168)	100.0 % (84 of 84)	100.0 % (84 of 84)

1. Receiver Domain of NtrC

MQRGIVWVVD DDSSIRWVLE RALAGAGLTC TTFENGNEVL AALASKTPDV LLSDIRMPGM DGLALLKQIK QRHPMLPVII MTAHSDLDAA VSAYQQGAFD YLPKPFDIDE AVALVERAIS HYQE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 273 K, pH 6.75

#	Name	Isotope labeling	Concentration
1	Receiver Domain of NtrC	[U-100% 13C; U-100% 15N]	0.3 mM
2	sodium phosphate	natural abundance	50 mM
3	beryllium chloride	natural abundance	4.4 mM
4	sodium fluoride	natural abundance	29 mM
5	magnesium chloride	natural abundance	7.2 mM
6	H20	natural abundance	93 %
7	D20	natural abundance	7 %

LACS Plot; CA

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

Referencing offset: -0.27 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.27 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.21 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 25 models in PDB: 2MSK, Strand ID: A Detail

Release date

2015-06-28

Citation

Free energy landscape of activation in a signalling protein at atomic resolution
Pontiggia, F., Pachov, D.V., Clarkson, M.W., Villali, J., Hagan, M.F., Pande, V.V., Kern, D.
Nat. Commun. (2015), 6, 7284-7284, PubMed 26073309 , DOI 10.1038/ncomms8284 , Abstract

Related entities 1. BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C, : 1 : 7 : 3 : 285 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC