BMRB Entry 36167

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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/BMR36167
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Title:
Solution NMR structure of a new lasso peptide brevunsin
Deposition date:
2018-02-19
Original release date:
2018-10-15
Authors:
Hemmi, H.; Kodani, S.; Miyake, Y.; Kaweewan, I.; Nakagawa, H.
Citation:

Citation: Kodani, S.; Hemmi, H.; Miyake, Y.; Kaweewan, I.; Nakagawa, H.. "Heterologous production of a new lasso peptide brevunsin in Sphingomonas subterranea."  J. Ind. Microbiol. Biotechnol. 45, 983-992 (2018).
PubMed: 30191430

Assembly members:

Assembly members:
entity_1, polymer, 21 residues, 2253.466 Da.

Natural source:

Natural source:   Common Name: Brevundimonas diminuta   Taxonomy ID: 293   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Brevundimonas diminuta

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Novosphingobium subterraneum

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DGMGEEFIEGLVRDSLYPPA G

Data sets:
Data typeCount
13C chemical shifts49
1H chemical shifts130

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 21 residues - 2253.466 Da.

1   ASPGLYMETGLYGLUGLUPHEILEGLUGLY
2   LEUVALARGASPSERLEUTYRPROPROALA
3   GLY

Samples:

sample_1: brevunsin 6 mg/mL; DMSO-d6, [U-2H], 100%

sample_conditions_1: pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_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 DQF-COSYsample_1isotropicsample_conditions_1
1D 1Hsample_1isotropicsample_conditions_1
1D 13Csample_1isotropicsample_conditions_1
DEPT135sample_1isotropicsample_conditions_1

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

TOPSPIN, Bruker Biospin - collection

TOPSPIN v3.5, Bruker Biospin - processing

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker AvanceIII 800 MHz