BMRB Entry 28118

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28118

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

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 in complex with cinaciguat
Deposition date:
2020-05-05
Original release date:
2021-07-16
Authors:
Dalkas, Georgios; Argyriou, Aikaterini; Makrynitsa, Garyfallia; Georgopoulou, Dimitra; Spyroulias, Georgios
Citation:

Citation: Makrynitsa, Garyfallia; Argyriou, Aikaterini; Dalkas, Georgios; Georgopoulou, Dimitra; Bantzi, Marina; Giannis, Athanassios; Papapetropoulos, Andreas; Spyroulias, Georgios. "Backbone and side chain NMR assignments of the H-NOX domain from Nostoc sp. in complex with BAY58-2667 (cinaciguat)"  Biomol. NMR Assign. 15, 53-57 (2021).
PubMed: 33128204

Assembly members:

Assembly members:
Nostoc_sp_C139A_H-NOX, polymer, 183 residues, 20 Da.
entity_Z90, non-polymer, 565.699 Da.

Natural source:

Natural source:   Common Name: Nostoc sp.   Taxonomy ID: 1180   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Nostoc Nostoc sp.

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pet22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Nostoc_sp_C139A_H-NOX: MYGLVNKAIQDMISKHHGED TWEAIKQKAGLEDIDFFVGM EAYSDDVTYHLVGAASEVLG KPAEELLIAFGEYWVTYTSE EGYGELLASAGDSLPEFMEN LDNLHARVGLSFPQLRPPAF ECQHTSSKSMELHYQSTRAG LAPMVLGLLHGLGKRFQTKV EVTQTAFRETGEDHDIFSIK YED

Data sets:
Data typeCount
13C chemical shifts676
15N chemical shifts169
1H chemical shifts1029

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1H-NOX monomer1
2cinaciguat (BAY58-2667)2

Entities:

Entity 1, H-NOX monomer 183 residues - 20 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, cinaciguat (BAY58-2667) - C36 H39 N O5 - 565.699 Da.

1   Z90

Related Database Links:

UniProt Q8YUQ7
AlphaFold Q8YUQ7

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