BMRB: 15334

Solution Structure of the Beryllofluoride-Activated NtrC4 Receiver Domain Dimer

Authors

Lee, C., Hong, E., Doucleff, M., Pelton, J.G., Wemmer, D.E.

Assembly

NtrC4 Receiver domain dimer

Entity

1. NtrC4 Receiver domain dimer (polymer, Thiol state: all free), 121 monomers, 13649.42 × 2 Da Detail

MKRVLVVDDE ESITSSLSAI LEEEGYHPDT AKTLREAEKK IKELFFPVIV LDVWMPDGDG VNFIDFIKEN SPDSVVIVIT GHGSVDTAVK AIKKGAYEFL EKPFSVERFL LTIKHAFEEY S

Total weight

27298.84 Da

Max. entity weight

13649.42 Da

Source organism

Aquifex aeolicus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 82.5 %, Completeness (bb): 82.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	82.5 % (1183 of 1434)	91.2 % (674 of 739)	68.6 % (395 of 576)	95.8 % (114 of 119)
Backbone	82.8 % (593 of 716)	97.9 % (238 of 243)	68.3 % (244 of 357)	95.7 % (111 of 116)
Sidechain	83.3 % (694 of 833)	86.7 % (430 of 496)	78.1 % (261 of 334)	100.0 % (3 of 3)
Aromatic	31.3 % (40 of 128)	57.8 % (37 of 64)	3.2 % (2 of 63)	100.0 % (1 of 1)
Methyl	93.5 % (144 of 154)	94.8 % (73 of 77)	92.2 % (71 of 77)

1. NtrC4 Receiver domain dimer

MKRVLVVDDE ESITSSLSAI LEEEGYHPDT AKTLREAEKK IKELFFPVIV LDVWMPDGDG VNFIDFIKEN SPDSVVIVIT GHGSVDTAVK AIKKGAYEFL EKPFSVERFL LTIKHAFEEY S

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 K, pH 8.0

#	Name	Isotope labeling	Type	Concentration
1	NtrC4Ra	[U-100% 13C; U-100% 15N]		1 (±0.2) mM

Sample #2

Pressure 1 atm, Temperature 298 K, pH 8.0

#	Name	Isotope labeling	Type	Concentration
2	NtrC4Ra	[U-100% 13C]		0.8 mM

Sample #3

Pressure 1 atm, Temperature 298 K, pH 8.0

#	Name	Isotope labeling	Type	Concentration
3	NtrC4Ra	natural abundance		0.8 mM

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LACS Plot; CA

Referencing offset: -0.19 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	acetate	methyl carbon	0.0 ppm	na	indirect	1.0
1H	water	protons	0.0 ppm	na	direct	1.0
15N	[15N] ammonium sulfate	nitrogen	0.0 ppm	na	indirect	1.0

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LACS Plot; CB

Referencing offset: -0.19 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	acetate	methyl carbon	0.0 ppm	na	indirect	1.0
1H	water	protons	0.0 ppm	na	direct	1.0
15N	[15N] ammonium sulfate	nitrogen	0.0 ppm	na	indirect	1.0

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LACS Plot; HA

Referencing offset: 0.01 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	acetate	methyl carbon	0.0 ppm	na	indirect	1.0
1H	water	protons	0.0 ppm	na	direct	1.0
15N	[15N] ammonium sulfate	nitrogen	0.0 ppm	na	indirect	1.0

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Protein Blocks Logo

Calculated from 20 models in PDB: 2JRL, Strand ID: A, B Detail

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Release date

2012-08-02

Citation

High-resolution solution structure of the beryllofluoride-activated NtrC receiver domain
Hastings, C.A., Lee, S., Cho, H.S., Yan, D., Kustu, S., Wemmer, D.E.
Biochemistry (2003), 42, 9081-9090, PubMed 12885241 , DOI 10.1021/bi0273866 , Abstract

Related entities 1. NtrC4 Receiver domain dimer, : 1 : 1 : 1 : 295 entities Detail

Experiments performed 10 experiments Detail