BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 27284

Title: Backbone and side chain resonance assignment of the H-NOX domain from Shewanella woodyi in the Fe(II)CO ligation state   PubMed: 29222330

Deposition date: 2017-10-16 Original release date: 2018-01-29

Authors: Montfort, William; Chen, Cheng-Yu

Citation: Wales, Jessica; Chen, Cheng-Yu; Breci, Linda; Weichsel, Andrzej; Bernier, Sylvie; Sheppeck, James; Solinga, Robert; Nakai, Takashi; Renhowe, Paul; Jung, Joon; Montfort, William. "Discovery of stimulator binding to a conserved pocket in the heme domain of soluble guanylyl cyclase."  J. Biol. Chem. 293, 1850-1864 (2018).

Assembly members:
SWHNOX, polymer, 190 residues, Formula weight is not available
entity_HEM, non-polymer, 616.487 Da.
entity_CMO, non-polymer, 28.010 Da.

Natural source:   Common Name: Shewanella woodyi   Taxonomy ID: 60961   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Shewanella woodyi

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

Entity Sequences (FASTA):
SWHNOX: MMGMVFTGLMELIEDEFGYE TLDTLLESCELQSEGIYTSV GSYDHQELLQLVVKLSEVSS VPVTELVRLFGKKLFVELIE GHPEIANEMKDSFDLLSKID SFIHVEVYKLYPQAELPKFT CDRLGDNDIRLHYQSKRPFA SFAEGLLDGCAEYFKEDFTI SRTPETQDSETDVIFNITRA PRGAENLYFQ

Data sets:
Data typeCount
13C chemical shifts657
15N chemical shifts179
1H chemical shifts1161

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SWHNOX1
2HEME2
3CO3

Entities:

Entity 1, SWHNOX 190 residues - Formula weight is not available

1   METMETGLYMETVALPHETHRGLYLEUMET
2   GLULEUILEGLUASPGLUPHEGLYTYRGLU
3   THRLEUASPTHRLEULEUGLUSERCYSGLU
4   LEUGLNSERGLUGLYILETYRTHRSERVAL
5   GLYSERTYRASPHISGLNGLULEULEUGLN
6   LEUVALVALLYSLEUSERGLUVALSERSER
7   VALPROVALTHRGLULEUVALARGLEUPHE
8   GLYLYSLYSLEUPHEVALGLULEUILEGLU
9   GLYHISPROGLUILEALAASNGLUMETLYS
10   ASPSERPHEASPLEULEUSERLYSILEASP
11   SERPHEILEHISVALGLUVALTYRLYSLEU
12   TYRPROGLNALAGLULEUPROLYSPHETHR
13   CYSASPARGLEUGLYASPASNASPILEARG
14   LEUHISTYRGLNSERLYSARGPROPHEALA
15   SERPHEALAGLUGLYLEULEUASPGLYCYS
16   ALAGLUTYRPHELYSGLUASPPHETHRILE
17   SERARGTHRPROGLUTHRGLNASPSERGLU
18   THRASPVALILEPHEASNILETHRARGALA
19   PROARGGLYALAGLUASNLEUTYRPHEGLN

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

1   HEM

Entity 3, CO - C O - 28.010 Da.

1   CMO

Samples:

sample_1: SWHNOX, [U-13C; U-15N], 0.9 ± 0.1 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.5; pressure: 1 atm; temperature: 293.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1

Software:

VNMRJ v4.0, Varian - collection

NMRPipe v8.9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.131, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Agilent INOVA 800 MHz

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