BMRB Entry 53820

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53820

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Title:
1H, 13C, and 15N backbone and side-chain resonance assignments of the Nostoc sp. H-NOX C139A variant in complex with the soluble Guanylyl Cyclase inhibitor Zinc Protoporphyrin IX
Deposition date:
2026-05-27
Original release date:
2026-10-17
Authors:
Gravalos, Stefanos; Andreadis, Emmanouil; Cantini, Francesca; Banci, Lucia; Spyroulias, Georgios
Citation:

Citation: Gravalos, Stefanos; Andreadis, Emmanouil; Cantini, Francesca; Banci, Lucia; Spyroulias, Georgios. "1H, 13C, and 15N backbone and side-chain resonance assignments of the Nostoc sp. H-NOX C139A variant in complex with the soluble Guanylyl Cyclase inhibitor Zinc Protoporphyrin IX "  Biomol. NMR Assignments 20, 25-25 (2026).
PubMed: 42642543

Assembly members:

Assembly members:
entity_1, polymer, 191 residues, Formula weight is not available
entity_ZNH, non-polymer, 626.051 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MYGLVNKAIQDMISKHHGED TWEAIKQKAGLEDIDFFVGM EAYSDDVTYHLVGAASEVLG KPAEELLIAFGEYWVTYTSE EGYGELLASAGDSLPEFMEN LDNLHARVGLSFPQLRPPAF ECQHTSSKSMELHYQSTRAG LAPMVLGLLHGLGKRFQTKV EVTQTAFRETGEDHDIFSIK YEDLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts563
15N chemical shifts142
1H chemical shifts713

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ns H-NOX1
2ZnPPIX2

Entities:

Entity 1, Ns H-NOX 191 residues - Formula weight is not available

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   TYRGLUASPLEUGLUHISHISHISHISHIS
20   HIS

Entity 2, ZnPPIX - C34 H32 N4 O4 Zn - 626.051 Da.

1   ZNH

Samples:

sample_1: Ns H-NOX, [U-100% 13C; U-100% 15N], 0.7 mM; Zinc Protoporphyrin IX 3 mM; 1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one (ODQ) 3 mM; D2O, [U-100% 2H], 10%; potassium phosphate 50 mM; sodium chloride 30 mM

sample_conditions_1: ionic strength: 80 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v4.3 - collection, processing

TALOS-N - data analysis

CARA v1.9.1.7 - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker AVANCE III 950 MHz
  • Bruker AVANCE III 700 MHz

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