BMRB Entry 36019

Title:
Solution structure of rattusin
Deposition date:
2016-09-11
Original release date:
2017-04-11
Authors:
Lee, C.; Min, H.
Citation:

Citation: Min, Hye Jung; Yun, Hyosuk; Ji, Sehyeon; Rajasekaran, Ganesan; Kim, Jae Il; Kim, Jeong-Sun; Shin, Song Yub; Lee, Chul Won. "Rattusin structure reveals a novel defensin scaffold formed by intermolecular disulfide exchanges."  Sci. Rep. 7, 45282-45282 (2017).
PubMed: 28345637

Assembly members:

Assembly members:
Defensin alpha-related sequence 1, polymer, 31 residues, 3657.355 Da.

Natural source:

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

Experimental source:

Experimental source:   Production method: chemical synthesis   Host organism: unidentified

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Defensin alpha-related sequence 1: LRVRRTLQCSCRRVCRNTCS CIRLSRSTYAS

Data sets:
Data typeCount
1H chemical shifts186

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21

Entities:

Entity 1, entity_1, 1 31 residues - 3657.355 Da.

1   LEUARGVALARGARGTHRLEUGLNCYSSER
2   CYSARGARGVALCYSARGASNTHRCYSSER
3   CYSILEARGLEUSERARGSERTHRTYRALA
4   SER

Samples:

sample_1: rattusin 1.0 ± 0.2 mM; Sodium phosphate 10 mM; NaCl 50 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1anisotropicsample_conditions_1
2D DQF-COSYsample_1anisotropicsample_conditions_1
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz