BMRB Entry 16747

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16747
MolProbity Validation Chart

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Title:
Glycocin A
Deposition date:
2010-03-01
Original release date:
2011-03-08
Authors:
Venugopal, Hariprasad; Edwards, Patrick; Schwalbe, Martin; Claridge, Jolyon; Stepper, Judith; Patchett, Mark; Loo, Trevor; Libich, David; Norris, Gillian; Pascal, Steven
Citation:

Citation: Venugopal, Hariprasad; Edwards, Patrick; Schwalbe, Martin; Claridge, Jolyon; Stepper, Judith; Patchett, Mark; Loo, Trevor; Libich, David; Norris, Gillian; Pascal, Steven. "Structure of Glycocin A"  Proteins ., .-..

Assembly members:

Assembly members:
Glycocin_A, polymer, 43 residues, 4806.393 Da.
NAG, non-polymer, 221.208 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Glycocin_A: KPAWCWYTLAMCGAGYDSGT CDYMYSHCFGIKHHSSGSSS YHC

Data sets:
Data typeCount
13C chemical shifts125
15N chemical shifts43
1H chemical shifts248

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 - 4806.393 Da.

1   LYSPROALATRPCYSTRPTYRTHRLEUALA
2   METCYSGLYALAGLYTYRASPSERGLYTHR
3   CYSASPTYRMETTYRSERHISCYSPHEGLY
4   ILELYSHISHISSERSERGLYSERSERSER
5   TYRHISCYS

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

1   NAG

Samples:

sample_1: Glycocin A 3 mM; Acetonitrile 40%; H2O 50%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0 M; pH: .; 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-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-13C H2BCsample_1isotropicsample_conditions_1

Software:

ARIA, Linge, O'Donoghue and Nilges - structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

PDB
GB ADV57366
SP E9K9Z1
AlphaFold E9K9Z1

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