BMRB Entry 34887

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34887
MolProbity Validation Chart

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Title:
the C-terminal domain of TonB protein from Salmonella enterica.
Deposition date:
2023-12-07
Original release date:
2024-01-11
Authors:
Iwai, H.; Ciragan, A.; Oeemig, J.
Citation:

Citation: Iwai, H.; Ciragan, A.; Oeemig, J.. "the C-terminal domain of TonB protein from Salmonella enterica."  .

Assembly members:

Assembly members:
entity_1, polymer, 90 residues, 10054.522 Da.

Natural source:

Natural source:   Common Name: Salmonella enterica   Taxonomy ID: 28901   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Salmonella enterica

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli B   Vector: pRSF

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: STGPRALSRNQPQYPARAQA LRIEGRVKVKFDVTSAGRVE NVQILSAQPANMFEREVKNA MRKWRYEAGKPGSGLVVNII FRLNGTAQIE

Data sets:
Data typeCount
13C chemical shifts394
15N chemical shifts95
1H chemical shifts642

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 90 residues - 10054.522 Da.

1   SERTHRGLYPROARGALALEUSERARGASN
2   GLNPROGLNTYRPROALAARGALAGLNALA
3   LEUARGILEGLUGLYARGVALLYSVALLYS
4   PHEASPVALTHRSERALAGLYARGVALGLU
5   ASNVALGLNILELEUSERALAGLNPROALA
6   ASNMETPHEGLUARGGLUVALLYSASNALA
7   METARGLYSTRPARGTYRGLUALAGLYLYS
8   PROGLYSERGLYLEUVALVALASNILEILE
9   PHEARGLEUASNGLYTHRALAGLNILEGLU

Samples:

sample_1: TonB-CTD(154-242), [U-100% 13C; U-100% 15N], 1.1 ± 0.2 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
NOESYsample_1isotropicsample_conditions_1
NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v3.0, Guentert - structure calculation

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

CcpNmr Analysis v2, CCPN - data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TopSpin, Bruker Biospin - processing

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz
  • Bruker AVANCE III 950 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks