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 26913

Title: Partially-Deuterated Samples of HET-s(218-289) Fibrils: Assignment and Deuterium Isotope Effect   PubMed: 28074361

Authors: Smith, Albert; Ravotti, Francesco; Testori, Emilie; Cadalbert, Riccardo; Ernst, Matthias; Boeckmann, Anja; Meier, Beat

Citation: Smith, Albert; Ravotti, Francesco; Testori, Emilie; Cadalbert, Riccardo; Ernst, Matthias; Boeckmann, Anja; Meier, Beat. "Partially-deuterated samples of HET-s(218-289) fibrils: assignment and deuterium isotope effect"  J. Biomol. NMR 67, 109-119 (2017).

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 shifts230
15N chemical shifts86
1H chemical shifts159

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1HET-s(218-289) fibrils1

Entities:

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

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

Samples:

HN_sample: HET-s (218-289), 100%-HN [U-13C; U-15N; U-2H], 25 – 40 % w/w; H2O60 – 75 % w/w

HA_sample: HET-s (218-289), 100% DN [U-100% 13C; U-100% 15N, 75%-D], 25 – 40 % w/w; D2O, [U-2H], 60 – 75 % w/w

HA_HN_sample: HET-s (218-289), 100% DN [U-100% 13C; U-100% 15N, 75%-D], 25 – 40 % w/w; H2O60 – 75 % w/w

sample_conditions_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 296.3 K

Experiments:

NameSampleSample stateSample conditions
3D HACACBHA_samplesolidsample_conditions_1
3D NCAHAHA_HN_samplesolidsample_conditions_1
2D HACAHA_samplesolidsample_conditions_1
3D HNCAHN_samplesolidsample_conditions_1
2D HNHN_samplesolidsample_conditions_1

Software:

CCPNMR v2.2, CCPN - chemical shift assignment

TOPSPIN v3.2, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 850 MHz

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