BMRB Entry 30789

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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/BMR30789
MolProbity Validation Chart

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Title:
Solution NMR structure of Prochlorosin 2.11 (Pcn2.11) produced by Prochlorococcus MIT 9313
Deposition date:
2020-08-19
Original release date:
2020-09-07
Authors:
Bobeica, S.; van der Donk, W.; Zhu, L.
Citation:

Citation: Bobeica, S.; Zhu, L.; Acedo, J.; Tang, W.; van der Donk, W.. "Structural determinants of macrocyclization in substrate-controlled lanthipeptide biosynthetic pathways"  Chem. Sci. 11, 12854-12870 (2020).
PubMed: 34094481

Assembly members:

Assembly members:
entity_1, polymer, 20 residues, 1831.042 Da.

Natural source:

Natural source:   Common Name: Prochlorococcus marinus   Taxonomy ID: 74547   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Prochlorococcus marinus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GRIDXCPAGGGXXEQXGXCC

Data sets:
Data typeCount
1H chemical shifts86

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 20 residues - 1831.042 Da.

1   GLYARGILEASPDBUCYSPROALAGLYGLY
2   GLYDBBDALGLUGLNDBBGLYDBUCYSCYS

Samples:

sample_1: Prochlorosin 2.11 1 ± 0.2 mM

sample_2: Prochlorosin 2.11 1 ± 0.2 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 6; pressure: 1 atm; temperature: 296 K

sample_conditions_2: ionic strength: 0 Not defined; pH: 6; pressure: 1 atm; temperature: 277 K

Experiments:

NameSampleSample stateSample conditions
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_2isotropicsample_conditions_2

Software:

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

NMRFAM-SPARKY v2.51, NMRFAM - peak picking

X-PLOR NIH v2.51, Schwieters, Kuszewski, Tjandra and Clore - refinement

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

NMR spectrometers:

  • Agilent VNMRs 750 MHz