BMRB Entry 6146

Title:
The pyrophosphate cage: the structure of the nisin/lipid II complex provides a blueprint for novel antibiotics   PubMed: 15361862
Deposition date:
2004-03-16
Original release date:
2008-07-16
Authors:
Hsu, Shang-Te; de Kruijff, Ben; Tischenko, Eugene; Kaptein, Robert; Breukink, Eefjan; Bonvin, Alexandre; Lutters, Mandy; van Nuland, Nico
Citation:

Citation: Hsu, Shang-Te; Breukink, Eefjan; Tischenko, Eugene; Lutters, Mandy; de Kruijff, Ben; Kaptein, Robert; Bonvin, Alexandre; van Nuland, Nico. "The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics"  Nat Struct Mol Biol 11, 963-967 (2004).

Assembly members:

Assembly members:
nisin Z, polymer, 34 residues, Formula weight is not available
G-gamma-glutamic acid, polymer, 11 residues, Formula weight is not available

Natural source:

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

Experimental source:   Production method: enzymatic semisynthesis

Experimental source:

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

Experimental source:   Production method: enzymatic semisynthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
nisin Z: IXXIXLCXPGCKXGALMGCN MKXAXCNCSIHVXK
G-gamma-glutamic acid: AXKXXXXXXXX

Data sets:
Data typeCount
1H chemical shifts236
15N chemical shifts34
13C chemical shifts73

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1nisin monomer1
23LII2

Entities:

Entity 1, nisin monomer 34 residues - Formula weight is not available

1   ILEDHB_2ABA_2ILEDHA_2LEUCYSMLN_2PROGLY
2   CYSLYSMLN_2GLYALALEUMETGLYCYSASN
3   METLYSMLN_2ALAMLN_2CYSASNCYSSERILE
4   HISVALDHA_2LYS

Entity 2, 3LII 11 residues - Formula weight is not available

1   ALADGLLYSDALDALNAGNAM_2POPTPL_2TPL_2
2   TPL_2

Samples:

sample_1: G-gamma-glutamic acid 1.2 mM; nisin Z, [U-100% 15N], 1.2 mM; d6-DMSO 99.9%

Ex-cond_1: temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
1H-15N NOESYsample_1not availableEx-cond_1
1H-15N TOCSYsample_1not availableEx-cond_1
1H-1H NOESYsample_1not availableEx-cond_1
1H-1H TOCSYsample_1not availableEx-cond_1
1H-1H DQF-COSYsample_1not availableEx-cond_1
1H-13C HSQCsample_1not availableEx-cond_1
1H-13C HMBCsample_1not availableEx-cond_1
31P direct detectionsample_1not availableEx-cond_1
1H-31P HSQCsample_1not availableEx-cond_1
31P-edited 1H-15N CT HSQCsample_1not availableEx-cond_1

Software:

NMRPipe -

NMRView -

NMR spectrometers:

  • Bruker AVANCE 500 MHz
  • Bruker AVANCE 600 MHz
  • Bruker AVANVE 750 MHz
  • Bruker AVANVE 900 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts