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Biological Magnetic Resonance Data Bank


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BMRB Entry 26919

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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/BMR26919
MolProbity Validation Chart

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Title: 1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca Type 2 Secretion System   PubMed: 28258547

Deposition date: 2016-10-19 Original release date: 2017-04-26

Authors: Lopez-Castilla, Aracelys; Vitorge, Bruno; Khoury, Lea; Morellet, Nelly; Francetic, Olivera; Izadi-Pruneyre, Nadia

Citation: Lopez-Castilla, Aracelys; Vitorge, Bruno; Khoury, Lea; Morellet, Nelly; Francetic, Olivera; Izadi-Pruneyre, Nadia. "1H, 15N and 13C resonance assignments and secondary structure of PulG, the major pseudopilin from Klebsiella oxytoca type 2 secretion system"  Biomol. NMR Assign. 11, 155-158 (2017).

Assembly members:
PulG, polymer, 116 residues, 12912.1838 Da.

Natural source:   Common Name: Klebsiella pneumoniae   Taxonomy ID: 571   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Klebsiella oxytoca

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
PulG: MGNKEKADRQKVVSDLVALE GALDMYKLDNSRYPTTEQGL QALVSAPSAEPHARNYPEGG YIRRLPQDPWGSDYQLLSPG QHGQVDIFSLGPDGVPESND DIGNWTIGFHHHHHHK

Data sets:
Data typeCount
13C chemical shifts421
15N chemical shifts103
1H chemical shifts630

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1PulG1

Entities:

Entity 1, PulG 116 residues - 12912.1838 Da.

1   METGLYASNLYSGLULYSALAASPARGGLN
2   LYSVALVALSERASPLEUVALALALEUGLU
3   GLYALALEUASPMETTYRLYSLEUASPASN
4   SERARGTYRPROTHRTHRGLUGLNGLYLEU
5   GLNALALEUVALSERALAPROSERALAGLU
6   PROHISALAARGASNTYRPROGLUGLYGLY
7   TYRILEARGARGLEUPROGLNASPPROTRP
8   GLYSERASPTYRGLNLEULEUSERPROGLY
9   GLNHISGLYGLNVALASPILEPHESERLEU
10   GLYPROASPGLYVALPROGLUSERASNASP
11   ASPILEGLYASNTRPTHRILEGLYPHEHIS
12   HISHISHISHISHISLYS

Samples:

sample_1: PulG, [U-99% 13C; U-99% 15N], 0.6 mM; HEPES 50 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10%; CaCl2 1.2 mM

sample_2: PulG, [U-99% 13C; U-99% 15N], 0.6 mM; HEPES 50 mM; sodium chloride 50 mM; D2O, [U-100% 2H], 10%; CaCl2 1.2 mM

sample_conditions_1: ionic strength: 0.100 M; pH: 7.000; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
1046_cbcaconh (H[N[co[{CA|ca[C]}]]])sample_1isotropicsample_conditions_1
1048_hncaco (H[N[ca[CO]]])sample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
1059_c_co_nh (H[N[co[{CA|ca[C]}]]])sample_1isotropicsample_conditions_1
1061_hcconh (HccoNH)sample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC/HMQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
1063_hbcbcgcdhd (hbCBcgcdHD)sample_1isotropicsample_conditions_1
1062_hbcbcgcdcehe (hbCBcgcdceHE)sample_1isotropicsample_conditions_1
2D 1H-13C HSQC/HMQCsample_1isotropicsample_conditions_1

Software:

CcpNmr_Analysis v2.4, CCPN - spectra analysis

NMRPipe vunknown, Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A - Processing

TOPSPIN v3.1, Bruker Biospin - collection

NMR spectrometers:

  • Varian UnityInova 600 MHz
  • Bruker Avance 950 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts