BMRB Entry 25269

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25269
MolProbity Validation Chart

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Title:
Structure of ASM1
Deposition date:
2014-10-06
Original release date:
2018-03-01
Authors:
Goroncy, Alexander; Loo, Trevor; Koolaard, Adrian; Patchett, Mark; Norris, Gillian
Citation:

Citation: Goroncy, Alexander; Loo, Trevor; Koolaard, Adrian; Patchett, Mark; Norris, Gillian. "Structural Characterization of the S-glycosylated Bacteriocin ASM1 from Lactobacillus plantarum"  Magnetochemistry 6, 16-16 (2020).

Assembly members:

Assembly members:
entity_1, polymer, 43 residues, 4651.216 Da.
N-ACETYL-D-GLUCOSAMINE, non-polymer, 221.208 Da.

Natural source:

Natural source:   Common Name: firmicutes   Taxonomy ID: 1590   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Lactobacillus plantarum

Experimental source:

Experimental source:   Production method: purified from the natural source   Host organism: Lactobacillus plantarum

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KPAWCWYTLAMCGAGYDSGT CDYMYSHCFGVKHSSGGGGS YHC

Data sets:
Data typeCount
13C chemical shifts152
15N chemical shifts45
1H chemical shifts274

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
2SUGAR (N-ACETYL-D-GLUCOSAMINE)_12
3SUGAR (N-ACETYL-D-GLUCOSAMINE)_22

Entities:

Entity 1, entity_1 43 residues - 4651.216 Da.

1   LYSPROALATRPCYSTRPTYRTHRLEUALA
2   METCYSGLYALAGLYTYRASPSERGLYTHR
3   CYSASPTYRMETTYRSERHISCYSPHEGLY
4   VALLYSHISSERSERGLYGLYGLYGLYSER
5   TYRHISCYS

Entity 2, SUGAR (N-ACETYL-D-GLUCOSAMINE)_1 - C8 H15 N O6 - 221.208 Da.

1   NAG

Samples:

sample_1: entity_1 1 mM; d3-acetonitrile 38%; water 56.8%; d-acetic acid 0.2%; D2O 5%

sample_conditions_1: pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N-HSQC-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C-HSQC-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C-H2BCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection

NMRPipe v2011.118.08.55, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

kujira v0.9843, Naohiro Kobayashi - processing

NMRView, Johnson, One Moon Scientific - processing

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

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