BMRB Entry 50919

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50919

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Title:
Assignment of MIL(ProS)V(ProS)A methyl group-labelled MNV P-domain
Deposition date:
2021-05-04
Original release date:
2022-03-04
Authors:
Maass, Thorben; Peters, Thomas; Westermann, Leon Torben; Mallagaray de Benito, Alvaro; Creutznacher, Robert
Citation:

Citation: Maass, Thorben; Westermann, Leon Torben; Creutznacher, Robert; Mallagaray, Alvaro; Dulfer, Jasmin; Uetrecht, Charlotte; Peters, Thomas. "Assignment of Ala, Ile, Leu proS, Met, and Val proS methyl groups of the protruding domain of murine norovirus capsid protein VP1 using methyl-methyl NOEs, site directed mutagenesis, and pseudocontact shifts"  Biomol. NMR Assign. 16, 97-107 (2022).
PubMed: 35050443

Assembly members:

Assembly members:
entity_1, polymer, 305 residues, Formula weight is not available
entity_CHO, non-polymer, 449.623 Da.

Natural source:

Natural source:   Common Name: Murine Norovirus CW1   Taxonomy ID: 357231   Superkingdom: Viruses   Kingdom: not available   Genus/species: Norovirus Murine Norovirus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPRMVDLPVIQPRLCTHARW PAPVYGLLVDPSLPSNPQWQ NGRVHVDGTLLGTTPISGSW VSCFAAEAAYEFQSGTGEVA TFTLIEQDGSAYVPGDRAAP LGYPDFSGQLEIEVQTETTK TGDKLKVTTFEMILGPTTNA DQAPYQGRVFASVTAAASLD LVDGRVRAVPRSIYGFQDTI PEYNDGLLVPLAPPIGPFLP GEVLLRFRTYMRQIDTADAA AEAIDCALPQEFVSWFASNA FTVQSEALLLRYRNTLTGQL LFECKLYNEGYIALSYSGSG PLTFPTDGIFEVVSWVPRLY QLASV

Data sets:
Data typeCount
13C chemical shifts138
1H chemical shifts414

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1P-domain Chain A1
2P-domain Chain B1
3GCDCA 12
4GCDCA 22

Entities:

Entity 1, P-domain Chain A 305 residues - Formula weight is not available

1   GLYPROARGMETVALASPLEUPROVALILE
2   GLNPROARGLEUCYSTHRHISALAARGTRP
3   PROALAPROVALTYRGLYLEULEUVALASP
4   PROSERLEUPROSERASNPROGLNTRPGLN
5   ASNGLYARGVALHISVALASPGLYTHRLEU
6   LEUGLYTHRTHRPROILESERGLYSERTRP
7   VALSERCYSPHEALAALAGLUALAALATYR
8   GLUPHEGLNSERGLYTHRGLYGLUVALALA
9   THRPHETHRLEUILEGLUGLNASPGLYSER
10   ALATYRVALPROGLYASPARGALAALAPRO
11   LEUGLYTYRPROASPPHESERGLYGLNLEU
12   GLUILEGLUVALGLNTHRGLUTHRTHRLYS
13   THRGLYASPLYSLEULYSVALTHRTHRPHE
14   GLUMETILELEUGLYPROTHRTHRASNALA
15   ASPGLNALAPROTYRGLNGLYARGVALPHE
16   ALASERVALTHRALAALAALASERLEUASP
17   LEUVALASPGLYARGVALARGALAVALPRO
18   ARGSERILETYRGLYPHEGLNASPTHRILE
19   PROGLUTYRASNASPGLYLEULEUVALPRO
20   LEUALAPROPROILEGLYPROPHELEUPRO
21   GLYGLUVALLEULEUARGPHEARGTHRTYR
22   METARGGLNILEASPTHRALAASPALAALA
23   ALAGLUALAILEASPCYSALALEUPROGLN
24   GLUPHEVALSERTRPPHEALASERASNALA
25   PHETHRVALGLNSERGLUALALEULEULEU
26   ARGTYRARGASNTHRLEUTHRGLYGLNLEU
27   LEUPHEGLUCYSLYSLEUTYRASNGLUGLY
28   TYRILEALALEUSERTYRSERGLYSERGLY
29   PROLEUTHRPHEPROTHRASPGLYILEPHE
30   GLUVALVALSERTRPVALPROARGLEUTYR
31   GLNLEUALASERVAL

Entity 2, GCDCA 1 - C26 H43 N O5 - 449.623 Da.

1   CHO

Samples:

sample_1: Murine Norovirus CW1 P-domain Monomer, [U-2H] MIL(ProS)V(ProS)A 1H,13C methyl group-labelled, 500 uM; Glycochenodeoxycholic acid 700 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM

sample_2: Murine Norovirus CW1 P-domain Monomer, [U-2H] A 1H,13C methyl group-labelled, 7 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM

sample_3: Murine Norovirus CW1 P-domain Monomer, [U-2H] V(ProS) 1H,13C methyl group-labelled, 2 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM

sample_4: Murine Norovirus CW1 P-domain Monomer, [U-2H] L(ProS)V(ProS) 1H,13C methyl group-labelled, 4 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM

sample_5: Murine Norovirus CW1 P-domain Monomer, [U-2H] IL(ProS)V(ProS) 1H,13C methyl group-labelled, 160 uM; Glycochenodeoxycholic acid 350 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM

sample_6: Murine Norovirus CW1 P-domain Monomer, [U-2H] MI 1H,13C methyl group-labelled, 40 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM

sample_7: Murine Norovirus CW1 P-domain Monomer, [U-2H] MIL(ProS)V(ProS)A 1H,13C methyl group-labelled, 38 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; Ce(III)Cl3 400 uM

sample_8: Murine Norovirus CW1 P-domain Monomer, [U-2H] MIL(ProS)V(ProS)A 1H,13C methyl group-labelled, 38 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; Eu(III)Cl3 400 uM

sample_9: Murine Norovirus CW1 P-domain Monomer, [U-2H] MIL(ProS)V(ProS)A 1H,13C methyl group-labelled, 38 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; Sa(III)Cl3 400 uM

sample_10: Murine Norovirus CW1 P-domain Monomer, [U-2H] MIL(ProS)V(ProS)A 1H,13C methyl group-labelled, 38 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; La(III)Cl3 400 uM

sample_11: Murine Norovirus CW1 P-domain Monomer, [U-2H] MIL(ProS)V(ProS)A 1H,13C methyl group-labelled, 38 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; CaCl2 0-20 mM

sample_12: Murine Norovirus CW1 P-domain Monomer, [U-2H] L(ProS)V(ProS) 1H,13C methyl group-labelled, 45 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM

sample_13: A442G Murine Norovirus CW1 P-domain, [U-2H] A 1H,13C methyl group-labelled, 38 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; V304L Murine Norovirus CW1 P-domain, [U-2H] L(ProS)V(ProS) 1H,13C methyl group-labelled, 38 uM; I405L Murine Norovirus CW1 P-domain, [U-2H] I 1H,13C methyl group-labelled, 38 uM

sample_14: A446G Murine Norovirus CW1 P-domain, [U-2H] A 1H,13C methyl group-labelled, 30 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; V352L Murine Norovirus CW1 P-domain, [U-2H] L(ProS)V(ProS) 1H,13C methyl group-labelled, 30 uM

sample_15: A381G Murine Norovirus CW1 P-domain, [U-2H] A 1H,13C methyl group-labelled, 33 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; V378L Murine Norovirus CW1 P-domain, [U-2H] L(ProS)V(ProS) 1H,13C methyl group-labelled, 33 uM

sample_16: A444G Murine Norovirus CW1 P-domain, [U-2H] A 1H,13C methyl group-labelled, 38 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM; I358L Murine Norovirus CW1 P-domain, [U-2H] I 1H,13C methyl group-labelled, 38 uM

sample_17: A365G Murine Norovirus CW1 P-domain, [U-2H] A 1H,13C methyl group-labelled, 45 uM; Glycochenodeoxycholic acid 250 uM; NaAc-d3, [U-2H], 20 mM; NaCl 100 mM

sample_conditions_1: pD: 5.3; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HMQCsample_1isotropicsample_conditions_1
4D 1H-13C HMQC-NOESY-HMQCsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_2isotropicsample_conditions_1
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_12isotropicsample_conditions_1
2D 1H-13C HMQCsample_13isotropicsample_conditions_1
2D 1H-13C HMQCsample_14isotropicsample_conditions_1
2D 1H-13C HMQCsample_15isotropicsample_conditions_1
2D 1H-13C HMQCsample_16isotropicsample_conditions_1
2D 1H-13C HMQCsample_17isotropicsample_conditions_1
2D 1H-13C HMQCsample_11isotropicsample_conditions_1
2D 1H-13C HMQCsample_10isotropicsample_conditions_1
2D 1H-13C HMQCsample_7anisotropicsample_conditions_1
2D 1H-13C HMQCsample_8anisotropicsample_conditions_1
2D 1H-13C HMQCsample_9anisotropicsample_conditions_1

Software:

CcpNMR v2.5.0 - data analysis

TOPSPIN v3.6 - data analysis, processing

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz