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BMRB: 27158

7P27

NMR study of non-structural proteins part III: 1H, 13C, 15N resonance assignment of macro domain from Chikungunya virus (CHIKV)

Authors

Lykouras, M.V., Tsika, A.C., Lichiere, J., Papageorgiou, N., Coutard, B., Bentrop, D., Spyroulias, G.A.

Assembly

CHIKV macro domain

Entity

1. CHIKV macro domain (polymer, Thiol state: all free), 168 monomers, 18604.86 Da Detail

MKHHHHHHAP SYRVKRMDIA KNDEECVVNA ANPRGLPGDG VCKAVYKKWP ESFKNSATPV GTAKTVMCGT YPVIHAVGPN FSNYSESEGD RELAAAYREV AKEVTRLGVN SVAIPLLSTG VYSGGKDRLT QSLNHLFTAM DSTDADVVIY CRDKEWEKKI SEAIQMRT

Formula weight

18604.86 Da

Source organism

Chikungunya virus strain S27-African prototype

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.7 %, Completeness: 80.5 %, Completeness (bb): 89.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.5 % (1526 of 1896)	79.0 % (776 of 982)	81.8 % (607 of 742)	83.1 % (143 of 172)
Backbone	89.6 % (889 of 992)	90.0 % (305 of 339)	89.9 % (443 of 493)	88.1 % (141 of 160)
Sidechain	73.5 % (780 of 1061)	73.3 % (471 of 643)	75.6 % (307 of 406)	16.7 % (2 of 12)
Aromatic	0.7 % (1 of 142)	0.0 % (0 of 71)	1.4 % (1 of 69)	0.0 % (0 of 2)
Methyl	97.1 % (167 of 172)	95.3 % (82 of 86)	98.8 % (85 of 86)

1. CHIKV macro domain

MKHHHHHHAP SYRVKRMDIA KNDEECVVNA ANPRGLPGDG VCKAVYKKWP ESFKNSATPV GTAKTVMCGT YPVIHAVGPN FSNYSESEGD RELAAAYREV AKEVTRLGVN SVAIPLLSTG VYSGGKDRLT QSLNHLFTAM DSTDADVVIY CRDKEWEKKI SEAIQMRT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	CHIKV macro domain	[U-99% 15N]	0.6 mM
2	soduim chloride	natural abundance	20 mM
3	Hepes	natural abundance	10 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
4	CHIKV macro domain	[U-99% 13C; U-99% 15N]	0.6 mM
5	soduim chloride	natural abundance	20 mM
6	Hepes	natural abundance	10 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
7	CHIKV macro domain	natural abundance	0.3 mM
8	soduim chloride	natural abundance	20 mM
9	Hepes	natural abundance	10 mM

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: 0.16 ppm, Outliers: 1 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: 0.16 ppm, Outliers: 1 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: -0.02 ppm, Outliers: 4 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: 0.15 ppm, Outliers: 5 Detail

Release date

2017-06-21

Citation

NMR study of non-structural proteins-part III: ¹H, ¹³C, ¹⁵N backbone and side-chain resonance assignment of macro domain from Chikungunya virus (CHIKV)
Lykouras, M.V., Tsika, A.C., Lichiere, J., Papageorgiou, N., Coutard, B., Bentrop, D., Spyroulias, G.A.
Biomol. NMR Assign. (2017), 12, 31-35, PubMed 28875416 , DOI 10.1007/s12104-017-9775-2 , Abstract

Related entities 1. CHIKV macro domain, : 1 : 3 : 11 : 131 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC