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BMRB: 34607

7NN6

periplasmic domain of Vibrio cholerae ToxR

Authors

Gubensaek, N., Wagner, G.E., Zangger, K.

Assembly

ToxR

Entity

1. ToxR (polymer), 106 monomers, 11631.96 Da Detail

MRGSHHHHHH GSPSQTSFKP LTVVDGVAVN MPNNHPDLSN WLPSIELCVK KYNEKHTGGL KPIEVIATGG QNNQLTLNYI HSPEVSGENI TLRIVANPND AIKVCE

Formula weight

11631.96 Da

Source organism

Vibrio cholerae

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 71.7 %, Completeness: 56.1 %, Completeness (bb): 57.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	56.1 % (676 of 1206)	58.4 % (365 of 625)	52.1 % (243 of 466)	59.1 % (68 of 115)
Backbone	57.1 % (354 of 620)	66.5 % (141 of 212)	47.1 % (146 of 310)	68.4 % (67 of 98)
Sidechain	57.0 % (390 of 684)	54.2 % (224 of 413)	65.0 % (165 of 254)	5.9 % (1 of 17)
Aromatic	56.8 % (42 of 74)	56.8 % (21 of 37)	55.6 % (20 of 36)	100.0 % (1 of 1)
Methyl	63.8 % (74 of 116)	63.8 % (37 of 58)	63.8 % (37 of 58)

1. entity 1

MRGSHHHHHH GSPSQTSFKP LTVVDGVAVN MPNNHPDLSN WLPSIELCVK KYNEKHTGGL KPIEVIATGG QNNQLTLNYI HSPEVSGENI TLRIVANPND AIKVCE

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] ToxRp, 90% H2O/10% D2O

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

Release date

2021-03-28

Citation

The periplasmic domains of Vibriocholerae ToxR and ToxS are forming a strong heterodimeric complex independent on the redox state of ToxR cysteines
Gubensak, N., Wagner, G.E., Schrank, E., Falsone, F.S., Berger, T.M.I., Pavkov-Keller, T., Reidl, J., Zangger, K.
Mol. Microbiol. (2021), 115, 1277-1291, PubMed 33368680 , DOI 10.1111/mmi.14673 , Abstract

Related entities 1. ToxR, : 1 : 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] ToxRp, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ToxRp	[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] ToxRp, 90% H2O/10% D2O

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

3 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] ToxRp, 90% H2O/10% D2O

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

4 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] ToxRp, 90% H2O/10% D2O

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

5 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] ToxRp, 90% H2O/10% D2O

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

6 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] ToxRp, 90% H2O/10% D2O

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

7 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] ToxRp, 90% H2O/10% D2O

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

8 3D H(CCO)NH

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] ToxRp, 90% H2O/10% D2O

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

9 3D H(CCO)NH

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] ToxRp, 90% H2O/10% D2O

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

10 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] ToxRp, 90% H2O/10% D2O

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

11 3D HNCACO

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] ToxRp, 90% H2O/10% D2O

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

12 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] ToxRp, 90% H2O/10% D2O

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

13 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] ToxRp, 90% H2O/10% D2O

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

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34607_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: bmr34607_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	728		67.0 (chain: 1, length: 106)
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: 106, Sequence coverage: 67.0%
- Total number of assignments
  - ¹H chemical shifts: 435
  - ¹³C chemical shifts: 229
  - ¹⁵N chemical shifts: 64
- 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

Keywords TRANSCRIPTION, Vibrio cholerae Trancription factor sensory domain