BMRB Entry 34757

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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/BMR34757
MolProbity Validation Chart

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Title:
Antimicrobial peptide capitellacin from polychaeta Capitella teleta in DPC (dodecylphosphocholine) micelles, dimeric form
Deposition date:
2022-09-21
Original release date:
2023-10-16
Authors:
Mironov, P.; Reznikova, O.; Paramonov, A.; Shenkarev, Z.
Citation:

Citation: Mironov, P.; Paramonov, A.; Reznikova, O.; Shenkarev, Z.. "Antimicrobial peptide capitellacin from polychaeta Capitella teleta in DPC (dodecylphosphocholine) micelles, dimeric form"  .

Assembly members:

Assembly members:
entity_1, polymer, 20 residues, 2388.888 Da.

Natural source:

Natural source:   Common Name: segmented worms   Taxonomy ID: 283909   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Capitella teleta

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SPRVCIRVCRNGVCYRRCWG

Data sets:
Data typeCount
13C chemical shifts96
15N chemical shifts21
1H chemical shifts268

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_21

Entities:

Entity 1, unit_1 20 residues - 2388.888 Da.

1   SERPROARGVALCYSILEARGVALCYSARG
2   ASNGLYVALCYSTYRARGARGCYSTRPGLY

Samples:

sample_1: capitellacin 2 mg/mL; DPC 168 mM; D2O, [U-99% 2H], 5 % v/v

sample_2: capitellacin, [U-100% 15N], 50 uM; DPC 6.5 mM; D2O, [U-99% 2H], 5 % v/v

sample_conditions_1: ionic strength: 0.001 M; pH: 5.4; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D NOESYsample_1anisotropicsample_conditions_1
2D 1H-1H TOCSYsample_1anisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1anisotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1anisotropicsample_conditions_1
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1

Software:

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

TopSpin v3.0, Bruker Biospin - collection

CARA v1.9.1.7, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 600 MHz
  • Bruker AVANCE III 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks