BMRB Entry 25390

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25390

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Backbone 1HN,15N assignments, 15N relaxation data and 3JHNHA coupling constants for the C10A/C13A variant of Hydrogenobacter thermophilus cytochrome c552
Deposition date:
2014-12-11
Original release date:
2015-08-13
Authors:
Tozawa, Kaeko; Ferguson, Stuart; Redfield, Christina; Smith, Lorna
Citation:

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).
PubMed: 25953310

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: not known

Entity Sequences (FASTA):

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
  • Hide all

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

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks