BMRB Entry 28030

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28030

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Title:
Complete assignment of Ala, Ile, Leu (proS), Met and Val (proS) methyl groups of human Norovirus protruding domain from the GII.4 Saga4/2006 strain
Deposition date:
2019-10-14
Original release date:
2020-01-22
Authors:
Mallagaray, Alvaro; Mueller-Hermes, Christoph; Creutznacher, Robert
Citation:

Citation: Muller-Hermes, Christoph; Creutznacher, Robert; Mallagaray, Alvaro. "Complete assignment of Ala, Ile, LeuProS, Met and ValProS methyl groups of the protruding domain from human norovirus GII.4 Saga"  Biomol. NMR Assignments 14, 123-130 (2020).
PubMed: 31993958

Assembly members:

Assembly members:
Norovirus_protruding_domain, polymer, 310 residues, 34064 Da.

Natural source:

Natural source:   Common Name: Norovirus   Taxonomy ID: 546980   Superkingdom: Virus   Kingdom: not available   Genus/species: Norovirus Norwalk Virus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pMal-c2x

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Norovirus_protruding_domain: GPGSKPFTVPILTVEEMTNS RFPIPLEKLFTGPSGAFVVQ PQNGRCTTDGVLLGTTQLSP VNICTFRGDVTHIAGSRNYT MNLASLNWNNYDPTEEIPAP LGTPDFVGKIQGLLTQTTKG DGSTRGHKATVYTGSAPFTP KLGSVQFSTDTENDFETHQN TKFTPVGVIQDGSTTHRNEP QQWVLPSYSGRNVHNVHLAP AVAPTFPGEQLLFFRSTMPG CSGYPNMDLDCLLPQEWVQH FYQEAAPAQSDVALLRFVNP DTGRVLFECKLHKSGYVTVA HTGQHDLVIPPNGYFRFDSW VNQFYTLAPM

Data sets:
Data typeCount
13C chemical shifts77
1H chemical shifts231

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Norovirus_P, Monomer 11
2Norovirus_P, Monomer 21

Entities:

Entity 1, Norovirus_P, Monomer 1 310 residues - 34064 Da.

1   GLYPROGLYSERLYSPROPHETHRVALPRO
2   ILELEUTHRVALGLUGLUMETTHRASNSER
3   ARGPHEPROILEPROLEUGLULYSLEUPHE
4   THRGLYPROSERGLYALAPHEVALVALGLN
5   PROGLNASNGLYARGCYSTHRTHRASPGLY
6   VALLEULEUGLYTHRTHRGLNLEUSERPRO
7   VALASNILECYSTHRPHEARGGLYASPVAL
8   THRHISILEALAGLYSERARGASNTYRTHR
9   METASNLEUALASERLEUASNTRPASNASN
10   TYRASPPROTHRGLUGLUILEPROALAPRO
11   LEUGLYTHRPROASPPHEVALGLYLYSILE
12   GLNGLYLEULEUTHRGLNTHRTHRLYSGLY
13   ASPGLYSERTHRARGGLYHISLYSALATHR
14   VALTYRTHRGLYSERALAPROPHETHRPRO
15   LYSLEUGLYSERVALGLNPHESERTHRASP
16   THRGLUASNASPPHEGLUTHRHISGLNASN
17   THRLYSPHETHRPROVALGLYVALILEGLN
18   ASPGLYSERTHRTHRHISARGASNGLUPRO
19   GLNGLNTRPVALLEUPROSERTYRSERGLY
20   ARGASNVALHISASNVALHISLEUALAPRO
21   ALAVALALAPROTHRPHEPROGLYGLUGLN
22   LEULEUPHEPHEARGSERTHRMETPROGLY
23   CYSSERGLYTYRPROASNMETASPLEUASP
24   CYSLEULEUPROGLNGLUTRPVALGLNHIS
25   PHETYRGLNGLUALAALAPROALAGLNSER
26   ASPVALALALEULEUARGPHEVALASNPRO
27   ASPTHRGLYARGVALLEUPHEGLUCYSLYS
28   LEUHISLYSSERGLYTYRVALTHRVALALA
29   HISTHRGLYGLNHISASPLEUVALILEPRO
30   PROASNGLYTYRPHEARGPHEASPSERTRP
31   VALASNGLNPHETYRTHRLEUALAPROMET

Samples:

sample_1: Norovirus P-dimer, [U-2H], Met, Ile, Leu (proS), Val (proS) and Ala 13C-methyl labeled, 200 uM; DSS-d6 100 uM; sodium phosphate 75 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_2: Norovirus P-dimer, [U-2H], Ile 13C-methyl labeled, 50 uM; DSS-d6 100 uM; Tris-d11 25 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_3: Norovirus P-dimer, [U-2H], Ile, Val 13C-methyl labeled, 115 uM; DSS-d6 100 uM; sodium phosphate 75 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_4: Norovirus P-dimer, [U-2H], Ile, Leu (proS), Val (proS) 13C-methyl labeled, 60 uM; DSS-d6 100 uM; sodium phosphate 75 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_5: Norovirus P-dimer, [U-2H], Met, Ile, Leu (proS), Val (proS) 13C-methyl labeled, 75 uM; DSS-d6 100 uM; sodium phosphate 75 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_6: I293L Norovirus P-dimer, [U-2H], Ile, Leu (proS), Val (proS) 13C-methyl labeled, 54 uM; DSS-d6 100 uM; sodium phosphate 75 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_7: I317L Norovirus P-dimer, [U-2H], Ile, Leu (proS), Val (proS) 13C-methyl labeled, 37 uM; DSS-d6 100 uM; sodium phosphate 75 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_8: V413A Norovirus P-dimer, [U-2H], Ile, Leu (proS), Val (proS) 13C-methyl labeled, 55 uM; DSS-d6 100 uM; sodium phosphate 75 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_9: L507V Norovirus P-dimer, [U-2H], Ile, Leu (proS), Val (proS) 13C-methyl labeled, 41 uM; DSS-d6 100 uM; sodium phosphate 75 mM; sodium chloride 100 mM; Imidazole 100 uM; sodium azide 0.02%

sample_conditions_1: pH: 7.40 pH*; pressure: 1 atm; temperature: 298 K

sample_conditions_2: pH: 7.25 pH*; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
4D HMQC-NOESY-HMQCsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_2isotropicsample_conditions_2
2D 1H-13C HMQCsample_3isotropicsample_conditions_1
2D 1H-13C HMQCsample_4isotropicsample_conditions_1
2D 1H-13C HMQCsample_5isotropicsample_conditions_1
2D 1H-13C HMQCsample_6isotropicsample_conditions_1
2D 1H-13C HMQCsample_7isotropicsample_conditions_1
2D 1H-13C HMQCsample_8isotropicsample_conditions_1

Software:

MAP-XSII v2, Yingqi Xu and Stephen Matthews - chemical shift assignment

TOPSPIN v4.0.2, Bruker Biospin - collection, processing

CCPNMR v2.4.2, CCPN - data analysis, peak picking

CH3Shift v2, Sahakyan AB, Vranken WF, Cavalli A, Vendruscolo M. - Prediction of methyl chemical shifts of Ala, Ile, Leu (proS) and Val (proS)

SHIFTX2 v1.10, Han B, Liu Y, Ginzinger SW, Wishart DS. - Prediction of chemical shifts of methionines

NMR spectrometers:

  • Bruker Avance 500 MHz

Related Database Links:

PDB
NCBI BAG70518.1