BMRB Entry 36343

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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/BMR36343
MolProbity Validation Chart

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Title:
a new lasso peptide koreensin
Deposition date:
2020-04-13
Original release date:
2020-09-07
Authors:
Hemmi, H.; Kodani, S.
Citation:

Citation: Fuwa, Hiroki; Hemmi, Hikaru; Kaweewan, Issara; Kozaki, Ikko; Honda, Hiroyuki; Kodani, Shinya. "Heterologous production of new lasso peptide koreensin based on genome mining"  J. Antibiot. (Tokyo) 74, 42-50 (2021).
PubMed: 32855516

Assembly members:

Assembly members:
lasso peptide koreensin, polymer, 17 residues, 1672.839 Da.

Natural source:

Natural source:   Common Name: Sphingomonas koreensis   Taxonomy ID: 93064   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Sphingomonas koreensis

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
lasso peptide koreensin: GPKGDFPDVGDGRILAG

Data sets:
Data typeCount
13C chemical shifts71
1H chemical shifts108

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 - 1672.839 Da.

1   GLYPROLYSGLYASPPHEPROASPVALGLY
2   ASPGLYARGILELEUALAGLY

Samples:

sample_1: koreensin 3.0 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
1D 1Hsample_1isotropicsample_conditions_1
1D 13Csample_1isotropicsample_conditions_1
DEPT-135sample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HMBCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_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, processing

NMR spectrometers:

  • Bruker AVANCE 600 MHz
  • Bruker AVANCE III 800 MHz