BMRB Entry 30793

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30793
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution structure of lantibiotic from Paenibacillus kyungheensis
Deposition date:
2020-09-08
Original release date:
2020-11-20
Authors:
Karczewski, J.; Diehl, C.
Citation:

Citation: Karczewski, J.; Krasucki, S.; Asare-Okai, P.; Diehl, C.; Friedman, P.; Brown, C.; Maezato, Y.; Streatfield, S.. "Isolation, Characterization and Structure Elucidation of a Novel Lantibiotic From Paenibacillus sp"  Front. Microbiol. 11, 598789-598789 (2020).
PubMed: 33324379

Assembly members:

Assembly members:
entity_1, polymer, 32 residues, 3456.045 Da.

Natural source:

Natural source:   Common Name: Paenibacillus kyungheensis   Taxonomy ID: 1452732   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Paenibacillus kyungheensis

Experimental source:

Experimental source:   Production method: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: WKSQXFCTPGCVTGVLQXCF IQTATCNCHIXK

Data sets:
Data typeCount
13C chemical shifts98
15N chemical shifts35
1H chemical shifts208

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 32 residues - 3456.045 Da.

1   TRPLYSSERGLNDHAPHECYSTHRPROGLY
2   CYSVALTHRGLYVALLEUGLNMDHCYSPHE
3   ILEGLNTHRALATHRCYSASNCYSHISILE
4   DHALYS

Samples:

sample_1: CMB001 5.7 mM

sample_conditions_1: ionic strength: 0 M; pressure: 1 bar; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

GROMACS, Lindahl, Abraham, Hess, van der Spoel - refinement, structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

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

NMR spectrometers:

  • Bruker AVANCE 700 MHz

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