BMRB Entry 53987

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53987

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Title:
Chemical shift assignments of the family 2 carbohydrate-binding module BaCBM2 of Bacillus anthracis chitinase B
Deposition date:
2026-08-20
Original release date:
2026-08-26
Authors:
Trooyen, Susanne; Courtade, Gaston
Citation:

Citation: Trooyen, Susanne; Courtade, Gaston. "Chemical shift assignments of the family 2 carbohydrate-binding module BaCBM2 of Bacillus anthracis chitinase B "  The BMRB entry is the only known published source for the data..

Assembly members:

Assembly members:
entity_1, polymer, 101 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Bacillus anthracis   Taxonomy ID: 1392   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus anthracis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-21b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MHHHHHHATFSVTSNWGSGY NFSIVIKNSGTTPIKNWKLE FDYNGNLTQVWDSKISSKIN NHYVITNAGWNGEIPPGGSI TIGGAGTGTPAELVNASISE N

Data sets:
Data typeCount
13C chemical shifts227
15N chemical shifts88
1H chemical shifts244

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1BaCBM21

Entities:

Entity 1, BaCBM2 101 residues - Formula weight is not available

1   METHISHISHISHISHISHISALATHRPHE
2   SERVALTHRSERASNTRPGLYSERGLYTYR
3   ASNPHESERILEVALILELYSASNSERGLY
4   THRTHRPROILELYSASNTRPLYSLEUGLU
5   PHEASPTYRASNGLYASNLEUTHRGLNVAL
6   TRPASPSERLYSILESERSERLYSILEASN
7   ASNHISTYRVALILETHRASNALAGLYTRP
8   ASNGLYGLUILEPROPROGLYGLYSERILE
9   THRILEGLYGLYALAGLYTHRGLYTHRPRO
10   ALAGLULEUVALASNALASERILESERGLU
11   ASN

Samples:

sample_1: BaCBM2, [U-98% 13C; U-98% 15N], 98 uM; sodium acetate 25 mM; sodium chloride 10 mM

sample_conditions_1: ionic strength: 35 mM; pH: 5.0; pressure: 1 atm; temperature: 298.1 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D CBCACONHsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz

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