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Biological Magnetic Resonance Data Bank


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BMRB Entry 19213

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19213
MolProbity Validation Chart

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Title: Blue Light-Absorbing State of TePixJ, an Active Cyanobacteriochrome Domain   PubMed: 24337572

Deposition date: 2013-05-01 Original release date: 2014-01-02

Authors: Cornilescu, Gabriel; Cornilescu, Claudia; Burgie, Sethe; Walker, Joseph; Markley, John; Ulijasz, Andrew; Vierstra, Richard

Citation: Cornilescu, Claudia; Cornilescu, Gabriel; Burgie, E. Sethe; Markley, John; Ulijasz, Andrew; Vierstra, Richard. "Dynamic Structural Changes Underpin Photoconversion of a Blue/Green Cyanobacteriochrome between Its Dark and Photoactivated States."  J. Biol. Chem. 289, 3055-3065 (2014).

Assembly members:
TePixJ, polymer, 165 residues, 18769.467 Da.
PHYCOVIOLOBILIN, non-polymer, 588.694 Da.

Natural source:   Common Name: Cyanobacteria   Taxonomy ID: 146786   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Thermosynechococcus elongatus

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

Entity Sequences (FASTA):
TePixJ: MAAVQLSELRDRQAIFETLV AKGRELLACDRVIVYAFDDN YVGTVVAESVAEGWPQARDQ VIEDPCFREHWVEAYRQGRI QATTDIFKAGLTECHLNQLR PLKVRANLVVPMVIDDQLFG LLIAHQASEPRQWQEIEIDQ FSELASTGSLVLERLHFLEQ TIASL

Data sets:
Data typeCount
13C chemical shifts645
15N chemical shifts171
1H chemical shifts989

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1TePixJ1
2PHYCOVIOLOBILIN2

Entities:

Entity 1, TePixJ 165 residues - 18769.467 Da.

1   METALAALAVALGLNLEUSERGLULEUARG
2   ASPARGGLNALAILEPHEGLUTHRLEUVAL
3   ALALYSGLYARGGLULEULEUALACYSASP
4   ARGVALILEVALTYRALAPHEASPASPASN
5   TYRVALGLYTHRVALVALALAGLUSERVAL
6   ALAGLUGLYTRPPROGLNALAARGASPGLN
7   VALILEGLUASPPROCYSPHEARGGLUHIS
8   TRPVALGLUALATYRARGGLNGLYARGILE
9   GLNALATHRTHRASPILEPHELYSALAGLY
10   LEUTHRGLUCYSHISLEUASNGLNLEUARG
11   PROLEULYSVALARGALAASNLEUVALVAL
12   PROMETVALILEASPASPGLNLEUPHEGLY
13   LEULEUILEALAHISGLNALASERGLUPRO
14   ARGGLNTRPGLNGLUILEGLUILEASPGLN
15   PHESERGLULEUALASERTHRGLYSERLEU
16   VALLEUGLUARGLEUHISPHELEUGLUGLN
17   THRILEALASERLEU

Entity 2, PHYCOVIOLOBILIN - C33 H40 N4 O6 - 588.694 Da.

1   PVN

Samples:

sample_1: TePixJ, [U-13C; U-15N], 0.7 – 1.3 mM; PHYCOVIOLOBILIN0.7 – 1.3 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 10 mM; pH: 8; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1anisotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment

PIPP, Garrett - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Varian INOVA 900 MHz
  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz
  • Bruker Avance 700 MHz

Related Database Links:

BMRB 19214
PDB
DBJ BAC08121
REF NP_681359 WP_011056417

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts