BMRB Entry 53519

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53519

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Title:
Solid-state NMR assignment data of CalY2 filaments
Deposition date:
2026-02-02
Original release date:
2026-03-02
Authors:
Lindemann, Florian; Oschkinat, Hartmut
Citation:

Citation: Diehl, Anne; Lindemann, Florian; Cremer, Nils; Roske, Yvette; Hiller, Matthias; van Rossum, Barth; Leidert, Martina; Turgay, Kursad; Oschkinat, Hartmut. "Conservation and specificity in Bacillus biofilm dynamics: on structure and function of B. cereus Camelysins."  J. Mol. Biol. ., 169661-169661 (2026).
PubMed: 41611200

Assembly members:

Assembly members:
entity_1, polymer, 168 residues, 19010.25 Da.

Natural source:

Natural source:   Common Name: Bacillus cereus   Taxonomy ID: 1396   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus cereus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pCA528

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FFSDKEVSNNTFAAGTLDLA LNPSTVVNVSNLKPGDTIEK EFKLENKGSLDIKKVLLKTD YNVEDVKKDNKDDFGKHIKV TFLKNVDKHETIVKQTTLDK LKGDTLTAVDNDLSAWFWDE KGISAGKSDKFKVKFEFVDN GKDQNQFQGDKLQLNWTFDA QQTAGEER

Data sets:
Data typeCount
13C chemical shifts293
15N chemical shifts81
1H chemical shifts81

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CalY21

Entities:

Entity 1, CalY2 168 residues - 19010.25 Da.

1   PHEPHESERASPLYSGLUVALSERASNASN
2   THRPHEALAALAGLYTHRLEUASPLEUALA
3   LEUASNPROSERTHRVALVALASNVALSER
4   ASNLEULYSPROGLYASPTHRILEGLULYS
5   GLUPHELYSLEUGLUASNLYSGLYSERLEU
6   ASPILELYSLYSVALLEULEULYSTHRASP
7   TYRASNVALGLUASPVALLYSLYSASPASN
8   LYSASPASPPHEGLYLYSHISILELYSVAL
9   THRPHELEULYSASNVALASPLYSHISGLU
10   THRILEVALLYSGLNTHRTHRLEUASPLYS
11   LEULYSGLYASPTHRLEUTHRALAVALASP
12   ASNASPLEUSERALATRPPHETRPASPGLU
13   LYSGLYILESERALAGLYLYSSERASPLYS
14   PHELYSVALLYSPHEGLUPHEVALASPASN
15   GLYLYSASPGLNASNGLNPHEGLNGLYASP
16   LYSLEUGLNLEUASNTRPTHRPHEASPALA
17   GLNGLNTHRALAGLYGLUGLUARG

Samples:

sample_1: CalY2 filament, [U-100% 13C; U-100% 15N, U-100% 2H, back-exchanged], 100 ± 100 mM

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 25 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D CBCANHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

CcpNMR v3.3.2.1 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

Related Database Links:

UNP A0A0E3SV09

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