BMRB Entry 34564

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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/BMR34564
MolProbity Validation Chart

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Title:
Antimicrobial peptide Capitellacin from polychaeta Capitella teleta
Deposition date:
2020-10-06
Original release date:
2020-12-18
Authors:
Panteleev, P.; Tsarev, A.; Safronova, V.; Reznikova, O.; Bolosov, I.; Sychev, S.; Shenkarev, Z.; Ovchinnikova, T.
Citation:

Citation: Panteleev, P.; Tsarev, A.; Safronova, V.; Reznikova, O.; Bolosov, I.; Sychev, S.; Shenkarev, Z.; Ovchinnikova, T.. "Structure Elucidation and Functional Studies of a Novel beta-hairpin Antimicrobial Peptide from the Marine Polychaeta Capitella teleta"  Mar. Drugs 18, .-. (2020).
PubMed: 33291782

Assembly members:

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

Natural source:

Natural source:   Common Name: Polychaete worm   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-His8-Trx-CT

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SPRVCIRVCRNGVCYRRCWG

Data sets:
Data typeCount
13C chemical shifts55
1H chemical shifts139

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 - 2388.888 Da.

1   SERPROARGVALCYSILEARGVALCYSARG
2   ASNGLYVALCYSTYRARGARGCYSTRPGLY

Samples:

sample_1: Capitellacin 1.5 mM

sample_conditions_1: ionic strength: 0.1 mM; pH: 5.2; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

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

TopSpin v3.98.13, Bruker Biospin - collection

CARA, Keller and Wuthrich - chemical shift assignment, peak picking, structure calculation

NMR spectrometers:

  • Bruker AVANCE 800 MHz
  • Bruker AVANCE 700 MHz