BMRB Entry 19697

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19697
MolProbity Validation Chart

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Title:
Tv1
Deposition date:
2013-12-20
Original release date:
2014-05-15
Authors:
Bhuiyan, Mohammed; Anand, Prachi; Grigoryan, Alexandre; Holford, Mand; Poget, Sebastien
Citation:

Citation: Anand, Prachi; Grigoryan, Alexandre; Bhuiyan, Mohammed; Ueberheide, Beatrix; Russell, Victoria; Quinonez, Jose; Moy, Patrick; Chait, Brian; Poget, Sebastien; Holford, Mande. "Sample Limited Characterization of a Novel Disulfide-Rich Venom Peptide Toxin from Terebrid Marine Snail Terebra variegata."  PLoS ONE 9, e94122-e94122 (2014).
PubMed: 24713808

Assembly members:

Assembly members:
Tv1, polymer, 21 residues, 2318.668 Da.

Natural source:

Natural source:   Common Name: gastropods   Taxonomy ID: 1167544   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Terebra variegata

Experimental source:

Experimental source:   Production method: chemical synthesis   Host organism: na   Vector: na

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Tv1: TRICCGCYWNGSKDVCSQSC C

Data sets:
Data typeCount
1H chemical shifts107
13C chemical shifts46

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Tv11

Entities:

Entity 1, Tv1 21 residues - 2318.668 Da.

1   THRARGILECYSCYSGLYCYSTYRTRPASN
2   GLYSERLYSASPVALCYSSERGLNSERCYS
3   CYS

Samples:

h2o: Tv1 260 uM; H2O 90%; D2O, [U-100% 2H], 10%

d2o: Tv1 260 uM; D2O, [U-100% 2H], 100%

sample_conditions_1: ionic strength: 1 mM; pH: 6.0; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQC aliphaticd2oisotropicsample_conditions_1
2D 1H-1H NOESYd2oisotropicsample_conditions_1
2D 1H-1H TOCSYd2oisotropicsample_conditions_1
2D 1H-1H NOESYh2oisotropicsample_conditions_1
2D 1H-1H TOCSYh2oisotropicsample_conditions_1

Software:

ARIA, Linge, O'Donoghue and Nilges - refinement

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

Analysis, CCPN - chemical shift assignment

NMR spectrometers:

  • Agilent Uniform NMR System 600 MHz

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