BMRB Entry 16770

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16770
MolProbity Validation Chart

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Title:
NMR solution structure of a soluble PrgI mutant from Salmonella Typhimurium
Deposition date:
2010-03-09
Original release date:
2010-07-27
Authors:
Schmidt, Holger; Poyraz, Oemer; Seidel, Karsten; Delissen, Friedmar; Ader, Christian; Tenenboim, Hezi; Goosmann, Christian; Laube, Britta; Thuenemann, Andreas; Zychlinski, Arturo; Baldus, Marc; Lange, Adam; Griesinger, Christian; Kolbe, Michael
Citation:

Citation: Poyraz, Omer; Schmidt, Holger; Seidel, Karsten; Delissen, Friedmar; Ader, Christian; Tenenboim, Hezi; Goosmann, Christian; Laube, Britta; Thunemann, Andreas; Zychlinsky, Arturo; Baldus, Marc; Lange, Adam; Griesinger, Christian; Kolbe, Michael. "Protein refolding is required for assembly of the type three secretion needle."  Nat. Struct. Mol. Biol. 17, 788-792 (2010).
PubMed: 20543831

Assembly members:

Assembly members:
PrgI, polymer, 83 residues, 9091.127 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PrgI: GSHMATPWSGYLDDVSAKFD TGVDNLQTQVTEALDKLAAK PSDPALLAAYQSKLSEYNLY RNAQSNTAKAFKDIDAAIIQ NFR

Data sets:
Data typeCount
13C chemical shifts335
15N chemical shifts89
1H chemical shifts568

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1PrgI1

Entities:

Entity 1, PrgI 83 residues - 9091.127 Da.

Residues G1-H3 represent a non-native remainder of the cleavage of the affinity tag. A68 & A70 are mutated residues and correspond to valines in the wild type sequence.

1   GLYSERHISMETALATHRPROTRPSERGLY
2   TYRLEUASPASPVALSERALALYSPHEASP
3   THRGLYVALASPASNLEUGLNTHRGLNVAL
4   THRGLUALALEUASPLYSLEUALAALALYS
5   PROSERASPPROALALEULEUALAALATYR
6   GLNSERLYSLEUSERGLUTYRASNLEUTYR
7   ARGASNALAGLNSERASNTHRALALYSALA
8   PHELYSASPILEASPALAALAILEILEGLN
9   ASNPHEARG

Samples:

sample_15N: PrgI*, [U-100% 15N], 0.3 mM; MES 20 mM; NaCl 20 mM

sample_15N13C: PrgI*, [U-100% 13C; U-100% 15N], 0.3 mM; MES 20 mM; NaCl 20 mM

sample_15Naniso: PrgI*, [U-100% 15N], 0.3 mM; MES 20 mM; NaCl 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 5.5; pressure: 1 atm; temperature: 283 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_15Nisotropicsample_conditions_1
2D 1H-13C HSQCsample_15N13Cisotropicsample_conditions_1
3D HNCACBsample_15N13Cisotropicsample_conditions_1
3D HNCAsample_15N13Cisotropicsample_conditions_1
3D CBCA(CO)NHsample_15N13Cisotropicsample_conditions_1
3D HNCOsample_15N13Cisotropicsample_conditions_1
3D HCCH-COSYsample_15N13Cisotropicsample_conditions_1
3D HCCH-TOCSYsample_15N13Cisotropicsample_conditions_1
3D 1H-15N NOESYsample_15Nisotropicsample_conditions_1
3D 1H-13C NOESYsample_15N13Cisotropicsample_conditions_1
2D 1H-15N TROSYsample_15Nisotropicsample_conditions_1
2D 1H-15N COCAINEsample_15Nisotropicsample_conditions_1
2D 1H-15N TROSYsample_15Nanisoanisotropicsample_conditions_1
2D 1H-15N COCAINEsample_15Nanisoanisotropicsample_conditions_1

Software:

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

ATHNOS-CANDID, Herrmann, Guntert and Wuthrich - chemical shift assignment, peak picking

CARA, Keller and Wuthrich - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker Avance 900 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 600 MHz

Related Database Links:

BMRB 18276
PDB
DBJ BAJ37865 BAP08778
EMBL CAR34293 CAR38585 CBG25842 CBW18951 CCF89508
GB AAB60189 AAL21753 AAX49613 AAX66711 ACF64232
REF NP_461794 WP_000235228 YP_009073587
SP P41784
AlphaFold P41784

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