BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 51495

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51495

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Title: Backbone and side chain NMR assignment of the heme-nitric oxide/oxygen binding (H-NOX) domain from Nostoc punctiforme   PubMed: 36066818

Deposition date: 2022-06-17 Original release date: 2022-09-08

Authors: Chasapi, Styliani; Argyriou, Aikaterini; Spyroulias, Georgios

Citation: Chasapi, Styliani; Argyriou, Aikaterini; Spyroulias, Georgios. "Backbone and side chain NMR assignment of the heme-nitric oxide/oxygen binding (H-NOX) domain from Nostoc punctiforme"  Biomol. NMR Assignments 16, 379-384 (2022).

Assembly members:
entity_1, polymer, 183 residues, Formula weight is not available
entity_HEM, non-polymer, 616.487 Da.

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

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

Entity Sequences (FASTA):
entity_1: MYGLVNKAIQDMVCSRFGEE TWKQIKHKAEVDVDVFLSME GYPDDITHKLVKAASVILSL SPKQIMQAFGEFWVQYTAQE GYGEMLDMSGDTLPEFLENL DNLHARVGVSFPKLQPPSFE CTDMEENSLSLHYRSDREGL TPMVIGLIKGLGTRFDTEVH ITQTQNRDEGAEHDEFLVIY KPN

Data sets:
Data typeCount
13C chemical shifts647
15N chemical shifts146
1H chemical shifts1022

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Npun H-NOX1
2HEME2

Entities:

Entity 1, Npun H-NOX 183 residues - Formula weight is not available

1   METTYRGLYLEUVALASNLYSALAILEGLN
2   ASPMETVALCYSSERARGPHEGLYGLUGLU
3   THRTRPLYSGLNILELYSHISLYSALAGLU
4   VALASPVALASPVALPHELEUSERMETGLU
5   GLYTYRPROASPASPILETHRHISLYSLEU
6   VALLYSALAALASERVALILELEUSERLEU
7   SERPROLYSGLNILEMETGLNALAPHEGLY
8   GLUPHETRPVALGLNTYRTHRALAGLNGLU
9   GLYTYRGLYGLUMETLEUASPMETSERGLY
10   ASPTHRLEUPROGLUPHELEUGLUASNLEU
11   ASPASNLEUHISALAARGVALGLYVALSER
12   PHEPROLYSLEUGLNPROPROSERPHEGLU
13   CYSTHRASPMETGLUGLUASNSERLEUSER
14   LEUHISTYRARGSERASPARGGLUGLYLEU
15   THRPROMETVALILEGLYLEUILELYSGLY
16   LEUGLYTHRARGPHEASPTHRGLUVALHIS
17   ILETHRGLNTHRGLNASNARGASPGLUGLY
18   ALAGLUHISASPGLUPHELEUVALILETYR
19   LYSPROASN

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

1   HEM

Samples:

sample_1: Nostoc punctiforme H-NOX domain, [U-100% 15N], 0.6 mM; PROTOPORPHYRIN IX CONTAINING Fe 1 mM

sample_2: Nostoc punctiforme H-NOX domain, [U-100% 13C; U-100% 15N], 0.6 mM; PROTOPORPHYRIN IX CONTAINING Fe 1 mM

sample_conditions_1: ionic strength: 0 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D CBCANHsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D CCH-TOCSYsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HNHAsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1

Software:

TOPSPIN v3.5pl7 - collection, processing

CARA v1.9.1.7 - chemical shift assignment, data analysis

TALOS+ - data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

UNP B2IZ76
AlphaFold B2IZ76

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