BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 11064

Title: Solid-state NMR assignment of the rigid core of the HET-s(218-289) prion protein in its amyloid conformation.   PubMed: 19504509

Authors: Siemer, Ansgar; Wasmer, Christian; Lange, Adam; Van Melckebeke, Helene; Ernst, Matthias; Ritter, Christiane; Steinmetz, Michel; Riek, Roland; Meier, Beat

Citation: Lange, Adam; Gattin, Zrinka; Van Melckebeke, Helene; Wasmer, Christian; Soragni, Alice; Van Gunsteren, Wilfred; Meier, Beat. "A Combined Solid-State NMR and MD Characterization of the Stability and Dynamics of the HET-s(218-289) Prion in its Amyloid Conformation"  ChemBioChem. 10, 1657-1665 (2009).

Assembly members:
HET-s(218-289), polymer, 79 residues, 8667.732 Da.

Natural source:   Common Name: Podospora anserina   Taxonomy ID: 5145   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Podospora anserina

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
HET-s(218-289): MKIDAIVGRNSAKDIRTEER ARVQLGNVVTAAALHGGIRI SDQTTNSVETVVGKGESRVL IGNEYGGKGFWDNHHHHHH

Data sets:
Data typeCount
13C chemical shifts260
15N chemical shifts66

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HET-s(218-289)1

Entities:

Entity 1, HET-s(218-289) 79 residues - 8667.732 Da.

1   METLYSILEASPALAILEVALGLYARGASN
2   SERALALYSASPILEARGTHRGLUGLUARG
3   ALAARGVALGLNLEUGLYASNVALVALTHR
4   ALAALAALALEUHISGLYGLYILEARGILE
5   SERASPGLNTHRTHRASNSERVALGLUTHR
6   VALVALGLYLYSGLYGLUSERARGVALLEU
7   ILEGLYASNGLUTYRGLYGLYLYSGLYPHE
8   TRPASPASNHISHISHISHISHISHIS

Samples:

sample_1: HET-s(218-289), [U-100% 13C; U-100% 15N], 5 – 40 mg; H2O mg

sample_2: HET-s(218-289), [2-100% 13C; U-100% 15N], 5 – 40 mg; H2O mg

sample_3: HET-s(218-289), [U-10% 13C; U-100% 15N], 5 – 40 mg; H2O mg

sample_conditions_1: ionic strength: 0 M; pH: 7.5; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
DREAMsample_1solidsample_conditions_1
TOBSYsample_1solidsample_conditions_1
PDSD No1sample_1solidsample_conditions_1
NCAsample_1solidsample_conditions_1
NCOsample_1solidsample_conditions_1
N(CO)CAsample_1solidsample_conditions_1
N(CO)CBsample_1solidsample_conditions_1
N(CA)COsample_1solidsample_conditions_1
CA-CAsample_1solidsample_conditions_1
PDSD No2sample_2solidsample_conditions_1
PDSD No3sample_3solidsample_conditions_1
DQSQsample_3solidsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - processing

SPARKY, Goddard - data analysis

CARA, Rochus Keller - data analysis

xwinnmr, Bruker Biospin - processing

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

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 850 MHz

Related Database Links:

BMRB 11028
PDB
GB AAB19707 AAB94631
PRF 1718317A
SP Q03689