BMRB Entry 31024

Title:
NMR structure of a Stapled Lanthipeptide Natural Product
Deposition date:
2022-05-19
Original release date:
2022-10-05
Authors:
Pei, Z.; Zhu, L.; Nair, S.
Citation:

Citation: Pei, Zeng-Fei; Zhu, Lingyang; Sarksian, Raymond; van der Donk, Wilfred; Nair, Satish. "Class V Lanthipeptide Cyclase Directs the Biosynthesis of a Stapled Peptide Natural Product"  J. Am. Chem. Soc. 144, 17549-17557 (2022).
PubMed: 36107785

Assembly members:

Assembly members:
entity_1, polymer, 28 residues, 2783.145 Da.

Natural source:

Natural source:   Common Name: Streptomyces morookaense   Taxonomy ID: 1970   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces morookaense

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: FAADAWAAQDMAXGNPLXXX FCCXVQCG

Data sets:
Data typeCount
1H chemical shifts158

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 28 residues - 2783.145 Da.

1   PHEALAALAASPALATRPALAALAGLNASP
2   METALADALGLYASNPROLEUDBUDBUDBB
3   PHECYSCYSDALVALGLNCYSGLY

Samples:

sample_1: mSmoAc 1.5 ± 0.2 mM

sample_conditions_1: ionic strength: 0 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

PROCHECK / PROCHECK-NMR, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton - data analysis

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

Sparky, Goddard - chemical shift assignment

NMR spectrometers:

  • Agilent VNMRS 750 MHz