BMRB Entry 31212

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31212

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Title:
Solution structure of an uncharacterized protein containing a DUF1893 domain from Borrelia burgdorferi, a pathogen responsible for Lyme disease. Seattle Structural Genomics Center for Infectious Disease target BobuA.17726.a.A1.
Deposition date:
2024-11-07
Original release date:
2025-01-28
Authors:
Buchko, G.; Seattle Structural Genomics Center for Infectious Disease (SSGCID), SSGCID
Citation:

Citation: Buchko, G.; van Voorhis, W.; Myler, P.. "Structural characterization of a DUF1893 domain containing protein from Borrelia burgdorferi, a pathogen responsible for Lyme disease."  .

Assembly members:

Assembly members:
entity_1, polymer, 150 residues, 17005.676 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAHHHHHHMGTLEAQTQGPG SMISGLNPTLRLFKDHKILY SNMERGLKPLLEVDNFINKY IQNKEGLEIYDKVVGKAAAV IIYNIGLQNVQAGVVSQPAK DFLESRGIKVAYKKLVEKIN DRAESLIESLENPEEVYKYM IKRGIIVNNL

Data typeCount
13C chemical shifts561
15N chemical shifts141
1H chemical shifts763

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 150 residues - 17005.676 Da.

1   METALAHISHISHISHISHISHISMETGLY
2   THRLEUGLUALAGLNTHRGLNGLYPROGLY
3   SERMETILESERGLYLEUASNPROTHRLEU
4   ARGLEUPHELYSASPHISLYSILELEUTYR
5   SERASNMETGLUARGGLYLEULYSPROLEU
6   LEUGLUVALASPASNPHEILEASNLYSTYR
7   ILEGLNASNLYSGLUGLYLEUGLUILETYR
8   ASPLYSVALVALGLYLYSALAALAALAVAL
9   ILEILETYRASNILEGLYLEUGLNASNVAL
10   GLNALAGLYVALVALSERGLNPROALALYS
11   ASPPHELEUGLUSERARGGLYILELYSVAL
12   ALATYRLYSLYSLEUVALGLULYSILEASN
13   ASPARGALAGLUSERLEUILEGLUSERLEU
14   GLUASNPROGLUGLUVALTYRLYSTYRMET
15   ILELYSARGGLYILEILEVALASNASNLEU

Samples:

sample_1: B26, [U-98% 13C; U-98% 15N], 1 ± 0.1 mM; sodium chloride 100 ± 1 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_2: B26, [U-98% 13C; U-98% 15N], 1 ± 0.1 mM; sodium chloride 100 ± 1 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_3: B26, [U-10% 13C; U-98% 15N], 1 ± 0.1 mM; sodium chloride 100 ± 1 mM; TRIS 20 ± 0.5 mM; DTT 1 ± 0.1 mM

sample_conditions_1: ionic strength: 120 mM; pH: 7; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_3isotropicsample_conditions_1

Software:

Poky, Manthey, Tonelli, Clos II, Rahimi, Markley and Lee - data analysis

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

TALOS+, Bax - refinement

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

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMRtist, Klukowski, Riek and Guntert - chemical shift assignment

NMR spectrometers:

  • Varian VNMRS 600 MHz
  • Bruker Ascend 700 MHz

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