BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 34361

Title: NMR structure of BB_A03, Borrelia burgdorferi outer surface lipoprotein

Deposition date: 2019-02-20 Original release date: 2020-03-16

Authors: Fridmanis, J.; Brangulis, K.; Jaudzems, K.

Citation: Fridmanis, J.; Brangulis, K.; Jaudzems, K.. "NMR structure of BB_A03, Borrelia burgdorferi lipoprotein"  . ., .-..

Assembly members:
entity_1, polymer, 122 residues, 13746.589 Da.

Natural source:   Common Name: Borreliella burgdorferi B31   Taxonomy ID: 224326   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Borreliella burgdorferi

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: GAMGTPLEKLVSRLNLNNTE KETLTFLTNLLKEKLVDPNI GLHFKNSGGDESKIEESVQK FLSELKEDEIKDLLAKIKEN KDKKEKDPEELNTYKSILAS GFDGIFNQADSKTTLNKLKD TI

Data sets:
Data typeCount
13C chemical shifts427
15N chemical shifts129
1H chemical shifts911

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 122 residues - 13746.589 Da.

1   GLYALAMETGLYTHRPROLEUGLULYSLEU
2   VALSERARGLEUASNLEUASNASNTHRGLU
3   LYSGLUTHRLEUTHRPHELEUTHRASNLEU
4   LEULYSGLULYSLEUVALASPPROASNILE
5   GLYLEUHISPHELYSASNSERGLYGLYASP
6   GLUSERLYSILEGLUGLUSERVALGLNLYS
7   PHELEUSERGLULEULYSGLUASPGLUILE
8   LYSASPLEULEUALALYSILELYSGLUASN
9   LYSASPLYSLYSGLULYSASPPROGLUGLU
10   LEUASNTHRTYRLYSSERILELEUALASER
11   GLYPHEASPGLYILEPHEASNGLNALAASP
12   SERLYSTHRTHRLEUASNLYSLEULYSASP
13   THRILE

Samples:

sample_1: sodium phosphate 20 ± 1 mM; sodium chloride 50 ± 1 mM; sodium azide 0.03 ± 0.0001 % w/v; EDTA 1 ± 0.01 mM; BB_A03, [U-13C; U-15N], 2 ± 0.1 mM

sample_conditions_1: ionic strength: 0.08 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CANDID v2.02, Herrmann, Guntert and Wuthrich - structure calculation

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, peak picking

TopSpin v3.5, Bruker Biospin - collection

NMR spectrometers:

  • Varian UNITY 600 MHz

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