BMRB: 19439

Backbone 1H, 13C, and 15N Chemical Shift Assignments for murine norovirus NS1/2 CW3 WT

Authors

Borin, B., Krezel, A.M.

Assembly

murine norovirus NS1/2 CW3 WT

Entity

1. murine norovirus NS1/2 CW3 WT (polymer, Thiol state: not present), 69 monomers, 7969.960 Da Detail

MRGSHHHHHH GSGALAALHA EGPLAGLPVT RSDARVLIFN EWEERKKSDP WLRLDMSDKA IFRRYPHLR

Formula weight

7969.96 Da

Source organism

Norovirus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 84.1 %, Completeness: 60.4 %, Completeness (bb): 67.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	60.4 % (489 of 810)	72.6 % (308 of 424)	40.6 % (129 of 318)	76.5 % (52 of 68)
Backbone	67.7 % (275 of 406)	78.4 % (109 of 139)	57.4 % (116 of 202)	76.9 % (50 of 65)
Sidechain	57.1 % (267 of 468)	69.8 % (199 of 285)	36.7 % (66 of 180)	66.7 % (2 of 3)
Aromatic	41.7 % (35 of 84)	66.7 % (28 of 42)	12.5 % (5 of 40)	100.0 % (2 of 2)
Methyl	62.5 % (40 of 64)	96.9 % (31 of 32)	28.1 % (9 of 32)

1. entity

MRGSHHHHHH GSGALAALHA EGPLAGLPVT RSDARVLIFN EWEERKKSDP WLRLDMSDKA IFRRYPHLR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	sodium phosphate	natural abundance		50 mM
2	sodium chloride	natural abundance		300 mM
3	entity	natural abundance		0.5 mM
4	DSS	natural abundance		0 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
5	sodium phosphate	natural abundance		50 mM
6	sodium chloride	natural abundance		300 mM
7	entity	[U-100% 13C; U-100% 15N]		0.5 mM
8	DSS	natural abundance		0 mM

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LACS Plot; CA

Referencing offset: -0.1 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.1 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.12 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2MCH, Strand ID: A Detail

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Release date

2014-11-20

Citation

Murine norovirus protein NS1/2 aspartate to glutamate mutation, sufficient for persistence, reorients side chain of surface exposed tryptophan within a novel structured domain
Borin, B.N., Tang, W., Nice, T.J., McCune, B.T., Virgin, H.W., Krezel, A.M.
Proteins (2014), 82, 1200-1209, PubMed 24273131 , DOI 10.1002/prot.24484 , Abstract

Related entities 1. murine norovirus NS1/2 CW3 WT, : 1 : 2 entities Detail

Experiments performed 4 experiments Detail