BMRB Entry 26048

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26048

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Title:
1H, 13C, 15N backbone and side-chain resonance assignment of Nostoc sp. C139A variant of the heme nitric oxide/oxygen binding (H-NOX) domain
Deposition date:
2016-05-06
Original release date:
2016-09-29
Authors:
Spyroulias, Georgios; Alexandropoulos, Ioannis; Argyriou, Aikaterini; Marousis, Konstantinos; Papapetropoulos, Andreas
Citation:

Citation: Alexandropoulos, Ioannis; Argyriou, Aikaterini; Maroyusis, Konstantinos; Topouzis, Stavros; Papapetropoulos, Andreas; Spyroulias, Georgios. "(1)H, (13)C, (15)N backbone and side-chain resonance assignment of Nostoc sp. C139A variant of the heme-nitric oxide/oxygen binding (H-NOX) domain"  Biomol. NMR Assign. 10, 395-400 (2016).
PubMed: 27614467

Assembly members:

Assembly members:
nostoc_sp_H-NOX_(C139A), polymer, 183 residues, 20380 Da.
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.

Natural source:

Natural source:   Common Name: cyanobacteria   Taxonomy ID: 1172   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Anabaena variabilis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET.22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
nostoc_sp_H-NOX_(C139A): MYGLVNKAIQDMISKHHGED TWEAIKQKAGLEDIDFFVGM EAYSDDVTYHLVGAASEVLG KPAEELLIAFGEYWVTYTSE EGYGELLASAGDSLPEFMEN LDNLHARVGLSFPQLRPPAF ECQHTSSKSMELHYQSTRAG LAPMVLGLLHGLGKRFQTKV EVTQTAFRETGEDHDIFSIK YED

Data sets:
Data typeCount
13C chemical shifts603
15N chemical shifts149
1H chemical shifts917

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1H-NOX Monomer1
2HEM2

Entities:

Entity 1, H-NOX Monomer 183 residues - 20380 Da.

1   METTYRGLYLEUVALASNLYSALAILEGLN
2   ASPMETILESERLYSHISHISGLYGLUASP
3   THRTRPGLUALAILELYSGLNLYSALAGLY
4   LEUGLUASPILEASPPHEPHEVALGLYMET
5   GLUALATYRSERASPASPVALTHRTYRHIS
6   LEUVALGLYALAALASERGLUVALLEUGLY
7   LYSPROALAGLUGLULEULEUILEALAPHE
8   GLYGLUTYRTRPVALTHRTYRTHRSERGLU
9   GLUGLYTYRGLYGLULEULEUALASERALA
10   GLYASPSERLEUPROGLUPHEMETGLUASN
11   LEUASPASNLEUHISALAARGVALGLYLEU
12   SERPHEPROGLNLEUARGPROPROALAPHE
13   GLUCYSGLNHISTHRSERSERLYSSERMET
14   GLULEUHISTYRGLNSERTHRARGALAGLY
15   LEUALAPROMETVALLEUGLYLEULEUHIS
16   GLYLEUGLYLYSARGPHEGLNTHRLYSVAL
17   GLUVALTHRGLNTHRALAPHEARGGLUTHR
18   GLYGLUASPHISASPILEPHESERILELYS
19   TYRGLUASP

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

1   HEM

Samples:

15N-1H_Sample: H-NOX, [U-99% 15N], 0.6 mM; potassium phosphate 50 mM; DSS 1 mM; H2O 90%; D2O 10%

15N-13C-1H_Sample: H-NOX, [U-98% 13C; U-98% 15N], 1.0 mM; potassium phosphate 50 mM; DSS 1 mM; H2O 90%; D2O 10%

1H_Sample: H-NOX 1.0 mM; potassium phosphate 50 mM; DSS 1 mM; H2O 90 mM; D2O 10 mM

Leu_15N_selective: H-NOX, [U-15N]-Leu, 0.5 mM; potassium phosphate 50 mM; DSS 1 mM; H2O 90 mM; D2O 10 mM

Phe-Leu_15N_selective: H-NOX, [U-15N]-Leu ; [U-15N]-Phe, 0.8 mM; potassium phosphate 50 mM; DSS 1 mM; H2O 90 mM; D2O 10 mM

Tyr-Ala_15N_selective: H-NOX, [U-15N]-Ala ; [U-15N]-Tyr, 0.8 mM; potassium phosphate 50 mM; DSS 1 mM; H2O 90 mM; D2O 10 mM

Ile-Val_15N_selective: H-NOX, [U-15N]-Ile ; [U-15N]-Val, 0.25 mM; potassium phosphate 50 mM; DSS 1 mM; H2O 90 mM; D2O 10 mM

sample_conditions_1: ionic strength: 30 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSY1H_Sampleisotropicsample_conditions_1
2D 1H-1H NOESY1H_Sampleisotropicsample_conditions_1
2D 1H-15N HSQCLeu_15N_selectiveisotropicsample_conditions_1
2D 1H-15N HSQCPhe-Leu_15N_selectiveisotropicsample_conditions_1
2D 1H-15N HSQCTyr-Ala_15N_selectiveisotropicsample_conditions_1
2D 1H-15N HSQCIle-Val_15N_selectiveisotropicsample_conditions_1
2D 1H-15N HSQC15N-1H_Sampleisotropicsample_conditions_1
3D HNHA15N-1H_Sampleisotropicsample_conditions_1
3D 1H-15N NOESY15N-1H_Sampleisotropicsample_conditions_1
2D 1H-15N HSQC15N-13C-1H_Sampleisotropicsample_conditions_1
2D 1H-13C HSQC15N-13C-1H_Sampleisotropicsample_conditions_1
3D CBCA(CO)NH15N-13C-1H_Sampleisotropicsample_conditions_1
3D HNCO15N-13C-1H_Sampleisotropicsample_conditions_1
3D HNCA15N-13C-1H_Sampleisotropicsample_conditions_1
3D HNCACB15N-13C-1H_Sampleisotropicsample_conditions_1
3D HBHA(CO)NH15N-13C-1H_Sampleisotropicsample_conditions_1
3D HN(CO)CA15N-13C-1H_Sampleisotropicsample_conditions_1
3D HCCH-TOCSY15N-13C-1H_Sampleisotropicsample_conditions_1
3D HN(CA)CO15N-13C-1H_Sampleisotropicsample_conditions_1
3D 1H-13C NOESY aliphatic15N-13C-1H_Sampleisotropicsample_conditions_1
3D 1H-13C NOESY aromatic15N-13C-1H_Sampleisotropicsample_conditions_1

Software:

CARA v1.5.5, Keller and Wuthrich - chemical shift assignment

TOPSPIN v3.2, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance HD III 700 MHz

Related Database Links:

UNP Q8YUQ7
PDB
AlphaFold Q8YUQ7

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