BMRB Entry 36083

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36083
MolProbity Validation Chart

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Title:
Solution NMR structure of a new lasso peptide subterisin
Deposition date:
2017-05-12
Original release date:
2018-04-30
Authors:
Hemmi, H.; Kodani, S.; Kuroha, M.; Ohnishi-Kameyama, M.
Citation:

Citation: Kuroha, M.; Hemmi, H.; Ohnishi-Kameyama, M.; Kodani, S.. "Isolation and structure determination of a new lasso peptide subterisin from Sphingomonas subterranea"  Tetrahedron Lett. 58, 3429-3432 (2017).

Assembly members:

Assembly members:
uncharacterized protein subterisin, polymer, 17 residues, 1723.947 Da.

Natural source:

Natural source:   Common Name: Novosphingobium subterraneum   Taxonomy ID: 48936   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Novosphingobium subterraneum

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
uncharacterized protein subterisin: GPPGDRIEFGVLAQLPG

Data sets:
Data typeCount
13C chemical shifts57
1H chemical shifts116

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 17 residues - 1723.947 Da.

1   GLYPROPROGLYASPARGILEGLUPHEGLY
2   VALLEUALAGLNLEUPROGLY

Samples:

sample_1: subterisin 16 mg/mL; DMSO-d6, [U-2H], 100%

sample_conditions_1: ionic strength: 0 Not defined; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker AvanceIII 800 MHz