BMRB Entry 25132

Name: NMR study of non-structural proteins - 1H, 13C, 15N resonance assigment of macro domain of Venezuelan equine encephalitis virus (VEEV)
Published: 2017-11-27

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PDB ID: 5isn
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25132
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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR study of non-structural proteins - 1H, 13C, 15N resonance assigment of macro domain of Venezuelan equine encephalitis virus (VEEV)

Deposition date:

2014-08-05

Original release date:

2017-11-27

Authors:

Makrynitsa, Garyfallia; Ntonti, Dioni; Marousis, Konstantinos; Bentrop, Detlef; Spyroulias, Georgios

Citation:

Citation: Makrynitsa, Garyfallia; Ntonti, Dioni; Marousis, Konstantinos; Bentrop, Detlef; Spyroulias, Georgios. "NMR study of non-structural proteins Part II: 1H, 13C, 15N backbone & side-chain resonance assignment of macro domain of Venezuelan equine encephalitis virus (VEEV)" Biomol. NMR Assignments ., .-..

Assembly members:

Assembly members:
VEEV_macro_domain, polymer, 160 residues, 17251.6 Da.

Natural source:

Natural source: Common Name: Venezuelan equine encephalitis virus Taxonomy ID: 11036 Superkingdom: Viruses Kingdom: not available Genus/species: Alphavirus VEEV

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pDesT 14

Entity Sequences (FASTA):

Entity Sequences (FASTA):
VEEV_macro_domain: APSYHVVRGDIATATEGVII NAANSKGQPGGGVCGALYKK FPESFDLQPIEVGKARLVKG AAKHIIHAVGPNFNKVSEVE GDKQLAEAYESIAKIVNDNN YKSVAIPLLSTGIFSGNKDR LTQSLNHLLTALDTTDADVA IYCRDKKWEMTLKEAVARRE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	629
15N chemical shifts	147
1H chemical shifts	1000

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	VEEV macro domain	1

Entities:

Entity 1, VEEV macro domain 160 residues - 17251.6 Da.

1	ALA	PRO	SER	TYR	HIS	VAL	VAL	ARG	GLY	ASP
2	ILE	ALA	THR	ALA	THR	GLU	GLY	VAL	ILE	ILE
3	ASN	ALA	ALA	ASN	SER	LYS	GLY	GLN	PRO	GLY
4	GLY	GLY	VAL	CYS	GLY	ALA	LEU	TYR	LYS	LYS
5	PHE	PRO	GLU	SER	PHE	ASP	LEU	GLN	PRO	ILE
6	GLU	VAL	GLY	LYS	ALA	ARG	LEU	VAL	LYS	GLY
7	ALA	ALA	LYS	HIS	ILE	ILE	HIS	ALA	VAL	GLY
8	PRO	ASN	PHE	ASN	LYS	VAL	SER	GLU	VAL	GLU
9	GLY	ASP	LYS	GLN	LEU	ALA	GLU	ALA	TYR	GLU
10	SER	ILE	ALA	LYS	ILE	VAL	ASN	ASP	ASN	ASN
11	TYR	LYS	SER	VAL	ALA	ILE	PRO	LEU	LEU	SER
12	THR	GLY	ILE	PHE	SER	GLY	ASN	LYS	ASP	ARG
13	LEU	THR	GLN	SER	LEU	ASN	HIS	LEU	LEU	THR
14	ALA	LEU	ASP	THR	THR	ASP	ALA	ASP	VAL	ALA
15	ILE	TYR	CYS	ARG	ASP	LYS	LYS	TRP	GLU	MET
16	THR	LEU	LYS	GLU	ALA	VAL	ALA	ARG	ARG	GLU

Samples:

sample_4: VEEV macro domain, [U-99% 15N], 0.02 mM; NaCl 20 mM; HEPES 10 mM

sample_5: VEEV macro domain 0.3 mM; NaCl 20 mM; HEPES 10 mM

sample_1: VEEV macro domain, [U-99% 15N], 0.4 mM; NaCl 20 mM; HEPES 10 mM

sample_2: VEEV macro domain, [U-98% 13C; U-98% 15N], 0.8 mM; NaCl 20 mM; HEPES 10 mM

sample_3: VEEV macro domain, [U-99% 15N], 0.01 mM; NaCl 20 mM; HEPES 10 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_4	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_5	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HN(CA)CO	sample_2	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(CO)CA	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_2	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_5	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_5	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA v1.5.5, Rochus Keller - chemical shift assignment

NMR spectrometers:

Bruker Avance HD-III HD 700 MHz
Bruker DPX 400 MHz

UNP	P36328
AlphaFold	Q91KW9

1	ALA	PRO	SER	TYR	HIS	VAL	VAL	ARG	GLY	ASP
2	ILE	ALA	THR	ALA	THR	GLU	GLY	VAL	ILE	ILE
3	ASN	ALA	ALA	ASN	SER	LYS	GLY	GLN	PRO	GLY
4	GLY	GLY	VAL	CYS	GLY	ALA	LEU	TYR	LYS	LYS
5	PHE	PRO	GLU	SER	PHE	ASP	LEU	GLN	PRO	ILE
6	GLU	VAL	GLY	LYS	ALA	ARG	LEU	VAL	LYS	GLY
7	ALA	ALA	LYS	HIS	ILE	ILE	HIS	ALA	VAL	GLY
8	PRO	ASN	PHE	ASN	LYS	VAL	SER	GLU	VAL	GLU
9	GLY	ASP	LYS	GLN	LEU	ALA	GLU	ALA	TYR	GLU
10	SER	ILE	ALA	LYS	ILE	VAL	ASN	ASP	ASN	ASN
11	TYR	LYS	SER	VAL	ALA	ILE	PRO	LEU	LEU	SER
12	THR	GLY	ILE	PHE	SER	GLY	ASN	LYS	ASP	ARG
13	LEU	THR	GLN	SER	LEU	ASN	HIS	LEU	LEU	THR
14	ALA	LEU	ASP	THR	THR	ASP	ALA	ASP	VAL	ALA
15	ILE	TYR	CYS	ARG	ASP	LYS	LYS	TRP	GLU	MET
16	THR	LEU	LYS	GLU	ALA	VAL	ALA	ARG	ARG	GLU

1	ALA	PRO	SER	TYR	HIS	VAL	VAL	ARG	GLY	ASP
2	ILE	ALA	THR	ALA	THR	GLU	GLY	VAL	ILE	ILE
3	ASN	ALA	ALA	ASN	SER	LYS	GLY	GLN	PRO	GLY
4	GLY	GLY	VAL	CYS	GLY	ALA	LEU	TYR	LYS	LYS
5	PHE	PRO	GLU	SER	PHE	ASP	LEU	GLN	PRO	ILE
6	GLU	VAL	GLY	LYS	ALA	ARG	LEU	VAL	LYS	GLY
7	ALA	ALA	LYS	HIS	ILE	ILE	HIS	ALA	VAL	GLY
8	PRO	ASN	PHE	ASN	LYS	VAL	SER	GLU	VAL	GLU
9	GLY	ASP	LYS	GLN	LEU	ALA	GLU	ALA	TYR	GLU
10	SER	ILE	ALA	LYS	ILE	VAL	ASN	ASP	ASN	ASN
11	TYR	LYS	SER	VAL	ALA	ILE	PRO	LEU	LEU	SER
12	THR	GLY	ILE	PHE	SER	GLY	ASN	LYS	ASP	ARG
13	LEU	THR	GLN	SER	LEU	ASN	HIS	LEU	LEU	THR
14	ALA	LEU	ASP	THR	THR	ASP	ALA	ASP	VAL	ALA
15	ILE	TYR	CYS	ARG	ASP	LYS	LYS	TRP	GLU	MET
16	THR	LEU	LYS	GLU	ALA	VAL	ALA	ARG	ARG	GLU