BMRBj - BMREntryMaster

Found 1 Document (0.524 seconds)

BMRB: 19008

1B0N

Chemical Shift Assignments for SinR from Bacillus subtilis

Authors

Stowe, S.D., Olson, A.L., Cavanagh, J.

Assembly

SinR FL

Entity

1. SinR FL (polymer, Thiol state: not present), 111 monomers, 12988.47 × 4 Da Detail

MIGQRIKQYR KEKGYSLSEL AEKAGVAKSY LSSIERNLQT NPSIQFLEKV SAVLDVSVHT LLDEKHETEY DGQLDSEWEK LVRDAMTSGV SKKQFREFLD YQKWRKSQKE E

Total weight

51953.88 Da

Max. entity weight

12988.47 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 82.6 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.6 % (1120 of 1356)	73.0 % (523 of 716)	93.2 % (483 of 518)	93.4 % (114 of 122)
Backbone	97.4 % (647 of 664)	95.6 % (216 of 226)	98.5 % (323 of 328)	98.2 % (108 of 110)
Sidechain	72.4 % (578 of 798)	62.7 % (307 of 490)	89.5 % (265 of 296)	50.0 % (6 of 12)
Aromatic	56.9 % (58 of 102)	60.8 % (31 of 51)	51.0 % (25 of 49)	100.0 % (2 of 2)
Methyl	98.1 % (104 of 106)	98.1 % (52 of 53)	98.1 % (52 of 53)

1. SinR FL

MIGQRIKQYR KEKGYSLSEL AEKAGVAKSY LSSIERNLQT NPSIQFLEKV SAVLDVSVHT LLDEKHETEY DGQLDSEWEK LVRDAMTSGV SKKQFREFLD YQKWRKSQKE E

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
7	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
8	MES	natural abundance	20 mM
9	sodium chloride	natural abundance	200 mM
10	sodium azide	natural abundance	0.02 %
11	D2O	natural abundance	100 %

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: -1.23 ppm, Outliers: 3 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: -1.23 ppm, Outliers: 3 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: -0.08 ppm, Outliers: 2 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: -0.18 ppm, Outliers: 4 Detail

Release date

2013-03-12

Citation

Chemical shift assignments and secondary structure prediction of the master biofilm regulator, SinR, from Bacillus subtilis
Stowe, S.D., Olson, A.L., Losick, R., Cavanagh, J.
Biomol. NMR Assign. (2014), 8, 155-158, PubMed 23475644 , DOI 10.1007/s12104-013-9473-7 , Abstract

Related entities 1. SinR FL, : 1 : 2 : 11 entities Detail

Interaction partners 1. SinR FL, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
7	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
8	MES	natural abundance	20 mM
9	sodium chloride	natural abundance	200 mM
10	sodium azide	natural abundance	0.02 %
11	D2O	natural abundance	100 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

4 3D C(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

5 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

6 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

7 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

8 3D HBHA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

9 3D HN(CA)CO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

10 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
7	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
8	MES	natural abundance	20 mM
9	sodium chloride	natural abundance	200 mM
10	sodium azide	natural abundance	0.02 %
11	D2O	natural abundance	100 %

11 3D H(CCO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

12 2D 1H-15N TROSY-HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

13 3D 1H-15N TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
2	MES	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	sodium azide	natural abundance	0.02 %
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

14 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
7	SinR_FL	[U-98% 13C; U-98% 15N]	450 uM
8	MES	natural abundance	20 mM
9	sodium chloride	natural abundance	200 mM
10	sodium azide	natural abundance	0.02 %
11	D2O	natural abundance	100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr19008_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr19008_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1206		99.1 (chain: 1, length: 111)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 111, Sequence coverage: 99.1%
- Total number of assignments
  - ¹H chemical shifts: 602
  - ¹³C chemical shifts: 489
  - ¹⁵N chemical shifts: 115
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
73	GLN	CD	180.053
94	GLN	CD	179.933
102	GLN	CD	178.101
108	GLN	CD	180.053

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	716	496	69.3
¹³C chemical shifts	518	485	93.6
¹⁵N chemical shifts	128	115	89.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	226	218	96.5
¹³C chemical shifts	222	220	99.1
¹⁵N chemical shifts	110	108	98.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	490	278	56.7
¹³C chemical shifts	296	265	89.5
¹⁵N chemical shifts	18	7	38.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	28	54.9
¹³C chemical shifts	49	25	51.0
¹⁵N chemical shifts	2	2	100.0

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Found 1 Document (0.524 seconds)

BMRB: 19008

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. SinR FL, : 1 : 2 : 11 entities Detail

Interaction partners 1. SinR FL, : 3 interactors Detail

Experiments performed 14 experiments Detail

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Chemical shift validation 3 contents Detail