BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 26604

Title: Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods   PubMed: 26267840

Authors: Penzel, Susanne; Smith, Albert; Agarwal, Vipin; Hunkeler, Andreas; Samoson, Ago; Bockmann, Anja; Ernst, Matthias; Meier, Beat

Citation: Penzel, Susanne; Smith, Albert; Agarwal, Vipin; Hunkeler, Andreas; Samoson, Ago; Bockmann, Anja; Ernst, Matthias; Meier, Beat. "Protein resonance assignment at MAS frequencies approaching 100 kHz: a quantitative comparison of J-coupling and dipolar-coupling-based transfer methods"  J. Biomol. NMR 63, 165-186 (2015).

Assembly members:
Ubiquitin_(microcrystalline), polymer, 76 residues, Formula weight is not available

Natural source:   Common Name: human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
Ubiquitin_(microcrystalline): MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG

Data sets:
Data typeCount
13C chemical shifts203
15N chemical shifts66
1H chemical shifts66

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1ubiquitin (microcrystal)1

Entities:

Entity 1, ubiquitin (microcrystal) 76 residues - Formula weight is not available

1   METGLNILEPHEVALLYSTHRLEUTHRGLY
2   LYSTHRILETHRLEUGLUVALGLUPROSER
3   ASPTHRILEGLUASNVALLYSALALYSILE
4   GLNASPLYSGLUGLYILEPROPROASPGLN
5   GLNARGLEUILEPHEALAGLYLYSGLNLEU
6   GLUASPGLYARGTHRLEUSERASPTYRASN
7   ILEGLNLYSGLUSERTHRLEUHISLEUVAL
8   LEUARGLEUARGGLYGLY

Samples:

sample_1: Ubiquitin (microcrystalline), 100% HN -[U-2H, U-13C, U-15N], 100%

sample_conditions_1: pH: 4; temperature: 285 K

Experiments:

NameSampleSample stateSample conditions
3D (H)CANHsample_1isotropicsample_conditions_1
3D (H)CA(CO)NHsample_1isotropicsample_conditions_1
3D (HCA)CB(CA)NHsample_1isotropicsample_conditions_1
3D (HNCA)CB(CA)NHsample_1isotropicsample_conditions_1
3D (HN)CONHsample_1isotropicsample_conditions_1
3D (H)CO(CA)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CCPN, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 850 MHz

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