BMRB Entry 27572

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27572

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Title:
High-resolution NMR studies of antibiotics in cellular membranes
Deposition date:
2018-08-06
Original release date:
2018-08-09
Authors:
Medeiros-Silva, Joao; Jekhmane, Shehrazade; Lucini Paioni, Alessandra; Gawarecka, Katarzyna; Baldus, Marc; Swiezewska, Ewa; Breukink, Eefjan; Weingarth, Markus
Citation:

Citation: Medeiros-Silva, Joao; Jekhmane, Shehrazade; Lucini Paioni, Alessandra; Gawarecka, Katarzyna; Baldus, Marc; Swiezewska, Ewa; Breukink, Eefjan; Weingarth, Markus. "High-resolution NMR studies of antibiotics in cellular membranes"  Nat. Commun. 9, 3963-3963 (2018).
PubMed: 30262913

Assembly members:

Assembly members:
Nisin_Z, polymer, 34 residues, Formula weight is not available
Lipid_II, polymer, 7 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Lactococcus lactis   Taxonomy ID: 1358   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Lactococcus lactis

Experimental source:

Experimental source:   Production method: purified from the natural source   Host organism: Lactococcus lactis   Vector: n.a.

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Nisin_Z: IXXIXLCXPGCKXGALMGCN MKXAXCNCSIHVXK
Lipid_II: XXAXKXX

Data sets:
Data typeCount
13C chemical shifts130
15N chemical shifts33
1H chemical shifts61

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Nisin1
2Lipid II2

Entities:

Entity 1, Nisin 34 residues - Formula weight is not available

The X referes to Dehydrobutyrine, Dehydroalanine, D-AlalineS and AlanineS (Lanthionine) and Aminobutyric acid and AlanineS (3-Methyllanthionine). The CYS residues 7, 11, 19, 26, 28 should be regarded as an alanine crosslinked via a sulfour atom.

1   ILEDBUDALILEDHALEUCYSABUPROGLY
2   CYSLYSABUGLYALALEUMETGLYCYSASN
3   METLYSABUALAABUCYSASNCYSSERILE
4   HISVALDHALYS

Entity 2, Lipid II 7 residues - Formula weight is not available

1   NAGMUBALAFGALYSDALDAL

Related Database Links:

UniProt P29559
Bactibase BAC049
PDB 1WCO
AlphaFold P29559

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