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BMRB: 26753

5MQX

NMR study of non-structural proteins - 1H, 13C, 15N resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV) in complex with ADP-ribose

Authors

Makrynitsa, G.I., Ntonti, D., Marousis, K.D., Bentrop, D., Spyroulias, G.A.

Assembly

Veev macro domain/ADP-ribose complex

Entity

1. VEEV macro domain (polymer, Thiol state: all free), 160 monomers, 17251.40 Da Detail

APSYHVVRGD IATATEGVII NAANSKGQPG GGVCGALYKK FPESFDLQPI EVGKARLVKG AAKHIIHAVG PNFNKVSEVE GDKQLAEAYE SIAKIVNDNN YKSVAIPLLS TGIFSGNKDR LTQSLNHLLT ALDTTDADVA IYCRDKKWEM TLKEAVARRE

2. Veev macro domain/ADP-ribose complex, entity APR (non-polymer), 559.316 Da

Total weight

17810.717 Da

Max. entity weight

17251.4 Da

Source organism

Venezuelan equine encephalitis virus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 91.7 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.7 % (1656 of 1806)	90.9 % (848 of 933)	92.8 % (654 of 705)	91.7 % (154 of 168)
Backbone	96.8 % (918 of 948)	96.3 % (315 of 327)	97.0 % (453 of 467)	97.4 % (150 of 154)
Sidechain	87.9 % (883 of 1005)	88.0 % (533 of 606)	89.9 % (346 of 385)	28.6 % (4 of 14)
Aromatic	38.9 % (42 of 108)	40.7 % (22 of 54)	35.8 % (19 of 53)	100.0 % (1 of 1)
Methyl	100.0 % (198 of 198)	100.0 % (99 of 99)	100.0 % (99 of 99)

1. VEEV macro domain

APSYHVVRGD IATATEGVII NAANSKGQPG GGVCGALYKK FPESFDLQPI EVGKARLVKG AAKHIIHAVG PNFNKVSEVE GDKQLAEAYE SIAKIVNDNN YKSVAIPLLS TGIFSGNKDR LTQSLNHLLT ALDTTDADVA IYCRDKKWEM TLKEAVARRE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	VEEV macro domain	[U-99% 15N]	0.18 mM
2	Adenosine diphosphate ribose	natural abundance	0.2 mM
3	Buffer HEPES	natural abundance	10 mM
4	NaCl	natural abundance	20 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
5	VEEV macro domain	[U-98% 13C; U-98% 15N]	0.21 mM
6	Adenosine diphosphate ribose	natural abundance	0.26 mM
7	Buffer HEPES	natural abundance	10 mM
8	NaCl	natural abundance	20 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: 0.19 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: 0.19 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: -0.03 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: 0.1 ppm, Outliers: 3 Detail

Release date

2016-03-08

Citation

NMR study of non-structural proteins: 1H, 13C, 15N backbone and side-chain resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV) in complex with ADP-ribose
Makrynitsa, G.I., Ntonti, D., Marousis, K.D., Bentrop, D., Spyroulias, G.A.
Biomol. NMR Assignments