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 25390

Title: Backbone 1HN,15N assignments, 15N relaxation data and 3JHNHA coupling constants for the C10A/C13A variant of Hydrogenobacter thermophilus cytochrome c552   PubMed: 25953310

Authors: Tozawa, Kaeko; Ferguson, Stuart; Redfield, Christina; Smith, Lorna

Citation: Tozawa, Kaeko; Ferguson, Stuart; Redfield, Christina; Smith, Lorna. "Comparison of the backbone dynamics of wild-type Hydrogenobacter thermophilus cytochrome c(552) and its b-type variant"  J. Biomol. NMR 62, 221-231 (2015).

Assembly members:
axxa_cytc, polymer, 80 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:   Common Name: aquificales   Taxonomy ID: 940   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Hydrogenobacter thermophilus

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

Entity Sequences (FASTA):
axxa_cytc: NEQLAKQKGAMAAHDLKAKK VGPAYADVAKKYAGRKDAVD YLAGKIKKGGSGVWGSVPMP PQNVTDAEAKQLAQWILSIK

Data sets:
Data typeCount
15N chemical shifts75
1H chemical shifts75
T1 relaxation values68
T2 relaxation values68
coupling constants63
heteronuclear NOE values68

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1axxa_cytc1
2heme2

Entities:

Entity 1, axxa_cytc 80 residues - Formula weight is not available

1   ASNGLUGLNLEUALALYSGLNLYSGLYALA
2   METALAALAHISASPLEULYSALALYSLYS
3   VALGLYPROALATYRALAASPVALALALYS
4   LYSTYRALAGLYARGLYSASPALAVALASP
5   TYRLEUALAGLYLYSILELYSLYSGLYGLY
6   SERGLYVALTRPGLYSERVALPROMETPRO
7   PROGLNASNVALTHRASPALAGLUALALYS
8   GLNLEUALAGLNTRPILELEUSERILELYS

Entity 2, heme - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

sample_1: axxa_cytc, [U-98% 15N], 0.4 – 1 mM; sodium phosphate 20 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.08 M; pH: 7.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
15N T1 experimentssample_1isotropicsample_conditions_1
15N T2 experimentssample_1isotropicsample_conditions_1
15N heteronuclear NOE experimentsample_1isotropicsample_conditions_1
2D 1H-15N HMQCJsample_1isotropicsample_conditions_1

Software:

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

CCPN_Analysis, CCPN - chemical shift assignment, data analysis

NMR spectrometers:

  • Home-built OMEGA 600 MHz

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