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BMRB: 11034

2RO5

Backbone 1H, 13C, and 15N Chemical Shift Assignments for N-terminal DNA Recognition Domain of the Bacillus subtilis transition-state regulator SpoVT

Authors

Sullivan, D.M., Bobay, B.G., Kojetin, D.J., Thompson, R.J., Rance, M., Strauch, M.A., Cavanagh, J.

Assembly

SpoVTN dimer

Entity

1. SpoVTN dimer (polymer, Thiol state: not present), 55 monomers, 6376.435 × 2 Da Detail

MKATGIVRRI DDLGRVVIPK EIRRTLRIRE GDPLEIFVDR DGEVILKKYS PISEL

Total weight

12752.87 Da

Max. entity weight

6376.435 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.0 %, Completeness (bb): 96.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.0 % (601 of 668)	87.3 % (309 of 354)	92.7 % (243 of 262)	94.2 % (49 of 52)
Backbone	96.6 % (313 of 324)	96.4 % (107 of 111)	97.5 % (157 of 161)	94.2 % (49 of 52)
Sidechain	85.6 % (338 of 395)	83.1 % (202 of 243)	89.5 % (136 of 152)
Aromatic	22.2 % (4 of 18)	44.4 % (4 of 9)	0.0 % (0 of 9)
Methyl	94.9 % (74 of 78)	94.9 % (37 of 39)	94.9 % (37 of 39)

1. SpoVTN

MKATGIVRRI DDLGRVVIPK EIRRTLRIRE GDPLEIFVDR DGEVILKKYS PISEL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.8

#	Name	Isotope labeling	Concentration
1	SpoVTN subunit 1	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	SpoVTN subunit 2	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
3	TRIS-HCl	natural abundance	10 mM
4	potassium chloride	natural abundance	150 mM
5	EDTA	natural abundance	1 mM
6	DTT	natural abundance	1 mM
7	sodium azide	natural abundance	0.02 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 305 K, pH 5.8

#	Name	Isotope labeling	Concentration
8	SpoVTN subunit 1	[U-99% 15N]	1.0 ~ 2.0 mM
9	SpoVTN subunit 2	[U-99% 15N]	1.0 ~ 2.0 mM
10	TRIS-HCl	natural abundance	10 mM
11	potassium chloride	natural abundance	150 mM
12	EDTA	natural abundance	1 mM
13	DTT	natural abundance	1 mM
14	sodium azide	natural abundance	0.02 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TMS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	TMS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: 0.75 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TMS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	TMS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: 0.75 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TMS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	TMS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	TMS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	TMS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Referencing offset: -1.1 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2RO5, Strand ID: A, B Detail

Release date

2008-12-10

Citation

Insights into the nature of DNA binding of AbrB-like transcription factors
Sullivan, D.M., Bobay, B.G., Kojetin, D.J., Thompson, R.J., Rance, M., Strauch, M.A., Cavanagh, J.
Structure (2008), 16, 1702-1713, PubMed 19000822 , DOI 10.1016/j.str.2008.08.014 , Abstract