BMRB Entry 26582

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26582
MolProbity Validation Chart

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Title:
1H, 15N, and 13C Chemical Shift Assignments of the Dark-state Cyanobacteriochrome (NpR6012g4)
Deposition date:
2015-06-03
Original release date:
2015-12-18
Authors:
Yu, Qinhong; Rockwell, Nathan; Martin, Shelley; Lagarias, J. Clark; Ames, James
Citation:

Citation: Yu, Qinhong; Rockwell, Nathan; Martin, Shelley; Lagarias, J. Clark; Ames, James. "1H, 15N, and 13C chemical shift assignments of cyanobacteriochrome NpR6012g4 in the red-absorbing dark state"  Biomol. NMR Assign. 10, 139-142 (2016).
PubMed: 26482922

Assembly members:

Assembly members:
Cyanobacteriochrome_GAF_domain, polymer, 180 residues, Formula weight is not available
entity_CYC, non-polymer, 588.694 Da.

Natural source:

Natural source:   Common Name: Nostoc punctiforme   Taxonomy ID: 272131   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Nostoc punctiforme

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Cyanobacteriochrome_GAF_domain: MGEKAVTKISNRIRQSSDVE EIFKTTTQEVRQLLRCDRVA VYRFNPNWTGEFVAESVAHT WVKLVGPDIKTVWEDTHLQE TQGGRYAQGENFVVNDIYQV GHSPCHIEILEQFEVKAYVI VPVFAGEQLWGLLAAYQNSG TRDWDESEVTLLARIGNQLG LALQQTEYLQQVQGQSAKPG

Data sets:
Data typeCount
13C chemical shifts689
15N chemical shifts179
1H chemical shifts1117

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Cyanobacterialchrome GAF domain1
2Phycocyanobilin2

Entities:

Entity 1, Cyanobacterialchrome GAF domain 180 residues - Formula weight is not available

1   METGLYGLULYSALAVALTHRLYSILESER
2   ASNARGILEARGGLNSERSERASPVALGLU
3   GLUILEPHELYSTHRTHRTHRGLNGLUVAL
4   ARGGLNLEULEUARGCYSASPARGVALALA
5   VALTYRARGPHEASNPROASNTRPTHRGLY
6   GLUPHEVALALAGLUSERVALALAHISTHR
7   TRPVALLYSLEUVALGLYPROASPILELYS
8   THRVALTRPGLUASPTHRHISLEUGLNGLU
9   THRGLNGLYGLYARGTYRALAGLNGLYGLU
10   ASNPHEVALVALASNASPILETYRGLNVAL
11   GLYHISSERPROCYSHISILEGLUILELEU
12   GLUGLNPHEGLUVALLYSALATYRVALILE
13   VALPROVALPHEALAGLYGLUGLNLEUTRP
14   GLYLEULEUALAALATYRGLNASNSERGLY
15   THRARGASPTRPASPGLUSERGLUVALTHR
16   LEULEUALAARGILEGLYASNGLNLEUGLY
17   LEUALALEUGLNGLNTHRGLUTYRLEUGLN
18   GLNVALGLNGLYGLNSERALALYSPROGLY

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

1   CYC

Samples:

sample_2: Cyanobacteriochrome_GAF_domain, [U-99% 13C; U-99% 15N], 0.7 mM; potassium phosphate 10 mM; TCEP, [U-2H], 1.2 mM; D2O, [U-99% 2H], 7%; H2O 93%

sample_1: Cyanobacteriochrome_GAF_domain, [U-99% 15N], 0.7 mM; sodium phosphate 10 mM; TCEP, [U-2H], 1.2 mM; D2O, [U-99% 2H], 7%; H2O 93%

sample_conditions_1: ionic strength: 25 mM; pH: 7.4; pressure: 1 atm; temperature: 301 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNCACOsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D HCA(CO)Nsample_2isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz

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