BMRBj - BMREntryMaster

Found 1 Document (0.622 seconds)

BMRB: 34425

6SLY

NMR solution structure of Helicobacter pylori TonB-CTD (residues 179-285)

Authors

Ciragan, A., Heikkinen, H.A., Iwai, H.

Assembly

Protein TonB

Entity

1. Protein TonB (polymer, Thiol state: not present), 107 monomers, 11600.02 Da Detail

SEGATSEAQA YNPGVSNEFL MKIQTAISSK NRYPKMAQIR GIEGEVLVSF TINADGSVTD IKVVKSNTTD ILNHAALEAI KSAAHLFPKP EETVHLKIPI AYSLKED

Formula weight

11600.02 Da

Source organism

Helicobacter pylori

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.0 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.0 % (1157 of 1218)	95.5 % (601 of 629)	93.5 % (447 of 478)	98.2 % (109 of 111)
Backbone	98.1 % (620 of 632)	97.2 % (208 of 214)	98.7 % (312 of 316)	98.0 % (100 of 102)
Sidechain	92.9 % (639 of 688)	94.7 % (393 of 415)	89.8 % (237 of 264)	100.0 % (9 of 9)
Aromatic	57.6 % (38 of 66)	75.8 % (25 of 33)	39.4 % (13 of 33)
Methyl	99.3 % (133 of 134)	98.5 % (66 of 67)	100.0 % (67 of 67)

1. entity 1

SEGATSEAQA YNPGVSNEFL MKIQTAISSK NRYPKMAQIR GIEGEVLVSF TINADGSVTD IKVVKSNTTD ILNHAALEAI KSAAHLFPKP EETVHLKIPI AYSLKED

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6SLY, Strand ID: A Detail

Release date

2020-03-15

Citation

NMR Structure and Dynamics of TonB Investigated by Scar-Less Segmental Isotopic Labeling Using a Salt-Inducible Split Intein
Ciragan, A., Backlund, S.M., Mikula, K.M., Beyer, H.M., Samuli Ollila, O.H., Iwai, H.
Front. Chem. (2020), 8, 136-136, PubMed 32266203 , DOI 10.3389/fchem.2020.00136 , Abstract

Related entities 1. Protein TonB, : 1 : 1 : 1 : 1 : 5 entities Detail

Interaction partners 1. Protein TonB, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

3 3D HNCO

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

4 3D HNCA

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

5 3D HNCACB

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

6 3D HN(CO)CA

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

7 3D HN(CA)CO

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

8 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

9 3D HCCH-COSY

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

10 3D H(CC)(CO)NH

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

11 3D (H)CC(CO)NH

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

12 3D 1H-15N NOESY

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

13 3D 1H-13C NOESY

Instrument

Bruker AVANCE - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6, Details 0.5 mM [U-100% 13C; U-100% 15N] TonB, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	TonB	[U-100% 13C; U-100% 15N]		0.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34425_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: bmr34425_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1305		99.1 (chain: 1, length: 107)
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: 107, Sequence coverage: 99.1%
- Total number of assignments
  - ¹H chemical shifts: 743
  - ¹³C chemical shifts: 453
  - ¹⁵N chemical shifts: 109
- 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 C-TERMINAL DOMAIN, METAL TRANSPORT, TONB-DEPENDENT IRON UPTAKE