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BMRB: 19436

2MCD

Backbone 1H, 13C, and 15N Chemical Shift Assignments for murine norovirus NS1/2 D94E mutant

Authors

Borin, B., Krezel, A.M.

Assembly

murine norovirus NS1/2 D94E mutant

Entity

1. murine norovirus NS1/2 D94E mutant (polymer, Thiol state: not present), 98 monomers, 11103.26 Da Detail

MRGSHHHHHH GSVSFGAPSP LSSESEDEIN YMTPPEQEAQ PGALAALHAE GPLAGLPVTR SDARVLIFNE WEERKKSEPW LRLDMSDKAI FRRYPHLR

Formula weight

11103.26 Da

Source organism

Norovirus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.7 %, Completeness: 75.3 %, Completeness (bb): 79.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.3 % (851 of 1130)	77.7 % (461 of 593)	70.8 % (313 of 442)	81.1 % (77 of 95)
Backbone	79.8 % (455 of 570)	81.9 % (158 of 193)	77.1 % (222 of 288)	84.3 % (75 of 89)
Sidechain	72.2 % (471 of 652)	75.7 % (303 of 400)	67.5 % (166 of 246)	33.3 % (2 of 6)
Aromatic	32.4 % (33 of 102)	60.8 % (31 of 51)	0.0 % (0 of 49)	100.0 % (2 of 2)
Methyl	89.0 % (73 of 82)	90.2 % (37 of 41)	87.8 % (36 of 41)

1. entity

MRGSHHHHHH GSVSFGAPSP LSSESEDEIN YMTPPEQEAQ PGALAALHAE GPLAGLPVTR SDARVLIFNE WEERKKSEPW LRLDMSDKAI FRRYPHLR

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	300 mM
3	entity	[U-100% 15N]	1 mM
4	DSS	natural abundance	0 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

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

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	50 mM
8	sodium chloride	natural abundance	300 mM
9	entity	[U-100% 13C; U-100% 15N]	1 mM
10	DSS	natural abundance	0 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.29 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.29 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.29 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2013-12-15

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 D94E mutant, : 1 : 1 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC