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BMRB: 27917

8C7K

1H, 13C, and 15N chemical shift assignments of COG4197, a monomeric Cro family member related to HigA

Authors

Volkov, O., Prolic Kalinsek, M., De Bruyn, P., Loris, R.

Assembly

IdaS

Entity

1. IdaS (polymer, Thiol state: all free), 109 monomers, 11902.24 Da Detail

MTLKEFIKSL RVGDAKKFAA RLGVSPSYLS QMASGRTAIS PTRALMIESA TEGQVSRAEL RPHDWELIWP EYASGIRLGQ THVVHAEGDC SACLSDGVDS GSSHHHHHH

Formula weight

11902.24 Da

Source organism

Escherichia coli

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.5 %, Completeness: 88.8 %, Completeness (bb): 92.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.8 % (1066 of 1201)	87.5 % (541 of 618)	89.6 % (424 of 473)	91.8 % (101 of 110)
Backbone	92.4 % (597 of 646)	91.9 % (205 of 223)	93.1 % (296 of 318)	91.4 % (96 of 105)
Sidechain	86.0 % (563 of 655)	85.3 % (337 of 395)	86.7 % (221 of 255)	100.0 % (5 of 5)
Aromatic	58.3 % (56 of 96)	58.3 % (28 of 48)	56.5 % (26 of 46)	100.0 % (2 of 2)
Methyl	100.0 % (112 of 112)	100.0 % (56 of 56)	100.0 % (56 of 56)

1. IdaS

MTLKEFIKSL RVGDAKKFAA RLGVSPSYLS QMASGRTAIS PTRALMIESA TEGQVSRAEL RPHDWELIWP EYASGIRLGQ THVVHAEGDC SACLSDGVDS GSSHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

Release date

2019-05-16

Citation

¹H, ¹³C, and ¹⁵N backbone and side chain chemical shift assignment of YdaS, a monomeric member of the HigA family
Prolic-Kalinsek, M., De Bruyn, P., Jurenas, D., Van Melderen, L., Loris, R., Volkov, A.N.
Biomol. NMR Assign. (2020), 14, 25-30, PubMed 31625047 , DOI 10.1007/s12104-019-09915-9 , Abstract

Related entities 1. IdaS, : 1 : 5 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

2 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

3 3D HN(CO)CACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

4 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

5 3D HN(CA)CO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

6 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

7 3D H(C)CH TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

8 3D (H)CCH TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

9 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

10 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

11 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

12 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

13 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

14 2D (HB)CB(CGCD)HD

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

15 2D (HB)CB(CGCDCE)HE

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	IdaS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		150 mM
4	D2O	[U-99% 2H]		10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27917_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: bmr27917_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1199		94.5 (chain: 1, length: 109)
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: 109, Sequence coverage: 94.5%
- Total number of assignments
  - ¹H chemical shifts: 669
  - ¹³C chemical shifts: 428
  - ¹⁵N chemical shifts: 102
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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

Keywords Cro repressor, HigA, YdaS-like, toxin-antitoxin