BMRB Entry 27868

Name: Backbone 1H, 13C and 15N chemical shift assignment for CHIKV HVD
Published: 2020-02-26

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27868

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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:

Backbone 1H, 13C and 15N chemical shift assignment for CHIKV HVD

Deposition date:

2019-04-04

Original release date:

2020-02-26

Authors:

Agback, Peter

Citation:

Citation: Agback, Peter; Dominguez, Francisco; Pustovalova, Yulia; Lukash, Tetyana; Shiliaev, Nikita; Orekhov, Vladislav; Frolov, Ilya; Agback, Tatiana; Frolova, Elena. "Structural characterization and biological function of bivalent binding of CD2AP to intrinsically disordered domain of chikungunya virus nsP3 protein" Virology 537, 130-142 (2019).
PubMed: 31493651

Assembly members:

Assembly members:
CHIKV_HVD, polymer, 230 residues, Formula weight is not available

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pE-SUMOpro-3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CHIKV_HVD: GRSSQESVQEVSTTTSLTHS QFDLSADGETLPVPSDLDAD APALEPALDDGAVHTLPTII GNLAAVSDWVMSTVPVAPPR RRRGRNLTVTCDEREGNITP MASVRFFRAELCPAVQETAE TRDTAISLQAPPSTTMELSH PPISFGAPSETFPITFGDFD EGEIESLSSELLTFGDFLPG EVDDLTDSDWSTCPDTDDEL GSWSHPQFEKGGGSGGGSGG GSWSHPQFEK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	633
15N chemical shifts	201
1H chemical shifts	375

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CHIKV protein	1

Entities:

Entity 1, CHIKV protein 230 residues - Formula weight is not available

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

Samples:

sample_1: CHIKV HVD, [U-99% 13C; U-99% 15N], 0.27 mM; sodium chloride 50 mM; TCEP 2 mM; sodium phosphate 25 mM; sodium azide 1 mM; D2O, [U-99% 2H], 10%

sample_conditions_1: ionic strength: 200 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.5, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz
Bruker Avance 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

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

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

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