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BMRB: 34606

7NMB

cytoplasmic domain of Vibrio cholerae ToxR

Authors

Gubensaek, N., Zangger, K., Hartlmueller, C., Madl, T.

Assembly

Cholera toxin transcriptional activator

Entity

1. Cholera toxin transcriptional activator (polymer, Thiol state: not present), 144 monomers, 16614.55 Da Detail

MAHHHHHHGS MFGLGHNSKE ISMSHIGTKF ILAEKFTFDP LSNTLIDKED SEEIIRLGSN ESRILWLLAQ RPNEVISRND LHDFVWREQG FEVDDSSLTQ AISTLRKMLK DSTKSPQYVK TVPKRGYQLI ARVETVEEEM ARES

Formula weight

16614.55 Da

Source organism

Vibrio cholerae

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 79.2 %, Completeness: 50.2 %, Completeness (bb): 58.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	50.2 % (861 of 1716)	46.4 % (413 of 891)	51.5 % (342 of 664)	65.8 % (106 of 161)
Backbone	58.4 % (500 of 856)	63.2 % (184 of 291)	49.4 % (210 of 425)	75.7 % (106 of 140)
Sidechain	45.9 % (458 of 997)	38.2 % (229 of 600)	60.9 % (229 of 376)	0.0 % (0 of 21)
Aromatic	5.9 % (8 of 136)	5.9 % (4 of 68)	6.1 % (4 of 66)	0.0 % (0 of 2)
Methyl	68.9 % (102 of 148)	63.5 % (47 of 74)	74.3 % (55 of 74)

1. entity 1

MAHHHHHHGS MFGLGHNSKE ISMSHIGTKF ILAEKFTFDP LSNTLIDKED SEEIIRLGSN ESRILWLLAQ RPNEVISRND LHDFVWREQG FEVDDSSLTQ AISTLRKMLK DSTKSPQYVK TVPKRGYQLI ARVETVEEEM ARES

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

Release date

2021-03-18

Citation

Structural and DNA-binding properties of the cytoplasmic domain of Vibrio cholerae transcription factor ToxR
Gubensak, N., Schrank, E., Hartlmuller, C., Gobl, C., Falsone, F.S., Becker, W., Wagner, G.E., Pulido, S., Meyer, N.H., Pavkov-Keller, T., Madl, T., Reidl, J., Zangger, K.
J. Biol. Chem. (2021), 297, 101167-101167, PubMed 34487759 , DOI 10.1016/j.jbc.2021.101167 , Abstract

Related entities 1. Cholera toxin transcriptional activator, : 1 : 1 : 3 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

3 3D HNCA

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

4 3D HNCO

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

5 3D HN(CO)CA

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

6 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

7 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

8 3D HN(CA)CO

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

9 3D HNCACB

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

10 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

11 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

12 hCCONH

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

13 hCCONH

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 400 uM [U-13C; U-15N] cToxR_1-134, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	cToxR_1-134	[U-13C; U-15N]		400 uM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34606_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: bmr34606_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	923		75.7 (chain: 1, length: 144)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 144, Sequence coverage: 75.7%
- Total number of assignments
  - ¹H chemical shifts: 492
  - ¹³C chemical shifts: 330
  - ¹⁵N chemical shifts: 101
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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 DNA binding domain wHTH transcription factor, TRANSCRIPTION