BMRBj - BMREntryMaster

Found 1 Document (0.544 seconds)

BMRB: 7218

1H, 13C and 15N assignment of the Master-Rep protein nuclease domain from the Faba Bean Necrotic Yellows Virus

Authors

Vega-Rocha, S., Campos-Olivas, R.

Assembly

monomer

Entity

1. monomer (polymer, Thiol state: all free), 138 monomers, 15865.91 Da Detail

GSSHHHHHHS SGLEVLFQGP HMARQVICWC FTLNNPLSPL SLHDSMKYLV YQTEQGEAGN IHFQGYIEMK KRTSLAGMKK LIPGAHFEKR RGTQGEARAY SMKEDTRLEG PWEYGEFVPT IEDKLREVMN DMKITGKR

Formula weight

15865.91 Da

Source organism

Faba bean necrotic yellows virus

Exptl. method

NMR

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 94.9 %, Completeness: 62.7 %, Completeness (bb): 88.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	62.7 % (1028 of 1639)	60.3 % (519 of 861)	59.8 % (379 of 634)	90.3 % (130 of 144)
Backbone	88.7 % (724 of 816)	87.6 % (248 of 283)	88.5 % (355 of 401)	91.7 % (121 of 132)
Sidechain	43.5 % (412 of 948)	46.9 % (271 of 578)	36.9 % (132 of 358)	75.0 % (9 of 12)
Aromatic	7.1 % (11 of 154)	13.0 % (10 of 77)	0.0 % (0 of 75)	50.0 % (1 of 2)
Methyl	43.0 % (49 of 114)	68.4 % (39 of 57)	17.5 % (10 of 57)

1. N-terminal DNA binding domain of M-Rep protein from the nanovirus FBNYV

GSSHHHHHHS SGLEVLFQGP HMARQVICWC FTLNNPLSPL SLHDSMKYLV YQTEQGEAGN IHFQGYIEMK KRTSLAGMKK LIPGAHFEKR RGTQGEARAY SMKEDTRLEG PWEYGEFVPT IEDKLREVMN DMKITGKR

Show sample condition

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: -0.28 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: -0.28 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: 0.19 ppm, Outliers: 3 Detail

Coupling constant

74 J values in 1 lists
Field strength (¹H) 700 MHz, Temperature 293 (±0.5) K, pH 6.6 (±0.1) Detail

Release date

2006-10-29

Citation

1H, 13C, and 15N NMR assignment of the master Rep protein nuclease domain from the nanovirus FBNYV
Vega-Rocha, S., Gronenborn, A., Gronenborn, B., Campos-Olivas, R.
J. Biomol. NMR (2007), 38, 169-169, PubMed 17043745 , DOI 10.1007/s10858-006-9085-y , Abstract

Related entities 1. monomer, : 2 : 3 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H15N_HSQC

Instrument

Model Bruker Avance (700 MHz)

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

2 3D HNCO

Instrument

Model Bruker Avance (700 MHz)

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

3 3D HNCACB

Instrument

Model Bruker Avance (700 MHz)

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

4 3D CBCA (CO) NH

Instrument

Model Bruker Avance (700 MHz)

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

5 3D HNHA

Instrument

Model Bruker Avance (700 MHz)

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

6 3D 15N edited NOESY

Instrument

Model Bruker Avance (700 MHz)

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

7 3D CC (CO) NH

Instrument

Model Bruker Avance (700 MHz)

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

8 3D 15N edited TOCSY

Instrument

Model Bruker Avance (700 MHz)

Sample #1

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
1	FBNYV M-Rep (1-117)	[U-10% 13C; U-15N]
2	Sodium phosphate
3	NaCl
4	DTT
5	D2O		8 %

Sample #2

Temperature 293 (±0.5) K, pH 6.6 (±0.1)

#	Name	Isotope labeling	Concentration
6	FBNYV M-Rep (1-117)	[U-13C; U-15N]
7	Sodium phosphate
8	NaCl
9	DTT
10	D2O		8 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr7218_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr7218_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1042		93.5 (chain: 1, length: 138)
1	Chemical shift references	chemical_shift_referencing	OK	4		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 138, Sequence coverage: 93.5%
- Total number of assignments
  - ¹³C chemical shifts: 356
  - ¹H chemical shifts: 558
  - ¹⁵N chemical shifts: 127
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
124	LYS	HZ1	2.001
124	LYS	HZ2	2.001
124	LYS	HZ3	2.001

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	634	356	56.2
¹H chemical shifts	861	481	55.9
¹⁵N chemical shifts	152	127	83.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	276	239	86.6
¹H chemical shifts	283	241	85.2
¹⁵N chemical shifts	132	118	89.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	358	117	32.7
¹H chemical shifts	578	240	41.5
¹⁵N chemical shifts	20	9	45.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	64	7	10.9
¹H chemical shifts	64	37	57.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	75	0	0.0
¹H chemical shifts	77	10	13.0
¹⁵N chemical shifts	2	1	50.0

Keywords FBNYV M-Rep (1-117)

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Found 1 Document (0.544 seconds)

BMRB: 7218

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. monomer, : 2 : 3 entities Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 3 contents Detail