BMRBj - BMREntryMaster

Found 1 Document (0.371 seconds)

BMRB: 15138

6TUQ

13C and 15N resonance assignments for the major coat protein in Pf1 filamentous bacteriophage

Authors

Goldbourt, A., Gross, B.J., Day, L.A., McDermott, A.E.

Assembly

Pf1 Filamentous phage

Entity

1. Pf1 Filamentous phage (polymer, Thiol state: all free), 46 monomers, 4609.367 Da Detail

GVIDTSAVES AITDGQGDMK AIGGYIVGAL VILAVAGLIY SMLRKA

Formula weight

4609.367 Da

Source organism

Pseudomonas virus Pf1

Exptl. method

solid-state NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 93.4 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	93.4 % (226 of 242)	92.3 % (180 of 195)	97.9 % (46 of 47)
Backbone	98.3 % (174 of 177)	98.5 % (129 of 131)	97.8 % (45 of 46)
Sidechain	86.5 % (90 of 104)	86.4 % (89 of 103)	100.0 % (1 of 1)
Aromatic	25.0 % (2 of 8)	25.0 % (2 of 8)
Methyl	87.2 % (34 of 39)	87.2 % (34 of 39)

1. Pf1 phage coat protein

GVIDTSAVES AITDGQGDMK AIGGYIVGAL VILAVAGLIY SMLRKA

Show sample condition

Sample #1

Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

Sample #2

Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg. The sample is prepared with glucose labeled only on carbon-1 position, and it results in labeling of most but not all carbonyls.

#	Name	Isotope labeling	Type	Concentration
2	Pf1 phage	[U-15N; 13C C1-Glucose]		7.0 ~ 10.0 mg

Chem. Shift Complete2

Sequence coverage: 10.9 %, Completeness: 50.8 %, Completeness (bb): 53.7 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	50.8 % (246 of 484)	50.3 % (196 of 390)	53.2 % (50 of 94)
Backbone	53.7 % (190 of 354)	53.8 % (141 of 262)	53.3 % (49 of 92)
Sidechain	47.1 % (98 of 208)	47.1 % (97 of 206)	50.0 % (1 of 2)
Aromatic	12.5 % (2 of 16)	12.5 % (2 of 16)
Methyl	50.0 % (39 of 78)	50.0 % (39 of 78)

1. Pf1 phage coat protein

GVIDTSAVES AITDGQGDMK AIGGYIVGAL VILAVAGLIY SMLRKA

Show sample condition

Sample #1

Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

Sample #2

#	Name	Isotope labeling	Type	Concentration
2	Pf1 phage	[U-15N; 13C C1-Glucose]		7.0 ~ 10.0 mg

Chem. Shift Complete3

Sequence coverage: 13.0 %, Completeness: 36.8 %, Completeness (bb): 39.0 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	36.8 % (267 of 726)	36.4 % (213 of 585)	38.3 % (54 of 141)
Backbone	39.0 % (207 of 531)	39.2 % (154 of 393)	38.4 % (53 of 138)
Sidechain	34.3 % (107 of 312)	34.3 % (106 of 309)	33.3 % (1 of 3)
Aromatic	8.3 % (2 of 24)	8.3 % (2 of 24)
Methyl	36.8 % (43 of 117)	36.8 % (43 of 117)

1. Pf1 phage coat protein

GVIDTSAVES AITDGQGDMK AIGGYIVGAL VILAVAGLIY SMLRKA

Show sample condition

Sample #1

Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

Sample #2

#	Name	Isotope labeling	Type	Concentration
2	Pf1 phage	[U-15N; 13C C1-Glucose]		7.0 ~ 10.0 mg

Chem. Shift Complete4

Sequence coverage: 15.2 %, Completeness: 31.6 %, Completeness (bb): 32.9 % Detail

Polymer type: polypeptide(L)

	Total	¹³C	¹⁵N
All	31.6 % (306 of 968)	31.5 % (246 of 780)	31.9 % (60 of 188)
Backbone	32.9 % (233 of 708)	33.2 % (174 of 524)	32.1 % (59 of 184)
Sidechain	30.5 % (127 of 416)	30.6 % (126 of 412)	25.0 % (1 of 4)
Aromatic	6.3 % (2 of 32)	6.3 % (2 of 32)
Methyl	33.3 % (52 of 156)	33.3 % (52 of 156)

1. Pf1 phage coat protein

GVIDTSAVES AITDGQGDMK AIGGYIVGAL VILAVAGLIY SMLRKA

Show sample condition

Sample #1

Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

Sample #2

#	Name	Isotope labeling	Type	Concentration
2	Pf1 phage	[U-15N; 13C C1-Glucose]		7.0 ~ 10.0 mg

Release date

2007-03-05

Citation

Filamentous phage studied by magic-angle spinning NMR: resonance assignment and secondary structure of the coat protein in Pf1
Goldbourt, A., Gross, B.J., Day, L.A., McDermott, A.E.
J. Am. Chem. Soc. (2007), 129, 2338-2344, PubMed 17279748 , DOI 10.1021/ja066928u , Abstract

Related entities 1. Pf1 Filamentous phage, : 1 : 17 entities Detail

Experiments performed 9 experiments Detail

1 3D NCACX

Instrument

Bruker DRX - 750 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

State isotropic, Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

2 3D NCOCX

Instrument

Bruker DRX - 750 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

State isotropic, Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

3 2D CC DARR

Instrument

Bruker DRX - 750 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

State isotropic, Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

4 3D NCOCX

Instrument

Bruker DRX - 750 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

State isotropic, Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg. The sample is prepared with glucose labeled only on carbon-1 position, and it results in labeling of most but not all carbonyls.

#	Name	Isotope labeling	Type	Concentration
2	Pf1 phage	[U-15N; 13C C1-Glucose]		7.0 ~ 10.0 mg

5 2D NN PDSD

Instrument

Bruker DRX - 750 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

#	Name	Isotope labeling	Type	Concentration
2	Pf1 phage	[U-15N; 13C C1-Glucose]		7.0 ~ 10.0 mg

6 3D NCACX

Instrument

Varian InfinityPlus - 600 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

State isotropic, Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

7 3D NCOCX

Instrument

Varian InfinityPlus - 600 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

State isotropic, Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

8 2D CC DARR

Instrument

Varian InfinityPlus - 600 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

State isotropic, Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

9 2D CC DARR

Instrument

Varian InfinityPlus - 400 MHz Magic-angle spinning 4mm Wide-Bore probe

Sample

State isotropic, Temperature 297.5 (±12.5) K, pH 8.4, Details Precipitated, hydrated. The sample weight is 7-10 mg.

#	Name	Isotope labeling	Type	Concentration
1	Pf1 phage	[U-13C; U-15N]		7.0 ~ 10.0 mg

Chemical shift validation 6 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15138_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: bmr15138_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	237	100.0 (chain: 1, length: 46)
2	Assigned chemical shifts	Threonine5_type2	Warning	3	2.2 (chain: 1, length: 46)
3	Assigned chemical shifts	Threonine5_type3	Warning	3	2.2 (chain: 1, length: 46)
4	Assigned chemical shifts	M42_type2	Warning	2	2.2 (chain: 1, length: 46)
1	Chemical shift references	chemical_shift_reference_1	Warning	2	No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 46, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 188
  - ¹⁵N chemical shifts: 49
- Completeness of assignments
  - Entity_assemble_ID: 1
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: Threonine5_type2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 46, Sequence coverage: 2.2%
- Total number of assignments
  - ¹³C chemical shifts: 3
- Completeness of assignments
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: Threonine5_type3
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 46, Sequence coverage: 2.2%
- Total number of assignments
  - ¹³C chemical shifts: 3
- Completeness of assignments
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: M42_type2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 46, Sequence coverage: 2.2%
- Total number of assignments
  - ¹³C chemical shifts: 2
- Completeness of assignments
- 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)
9	GLU	CD	182.9
14	ASP	CG	177.3
16	GLN	CD	177.9
18	ASP	CG	177.6
20	LYS	NZ	33.5
25	TYR	CG	129.3
25	TYR	CZ	157.9
40	TYR	CG	129.9
44	ARG	CZ	159.9
44	ARG	NH1	72.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	195	180	92.3
¹⁵N chemical shifts	48	47	97.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	92	91	98.9
¹⁵N chemical shifts	46	45	97.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	103	89	86.4
¹⁵N chemical shifts	2	2	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	41	35	85.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	8	2	25.0

Keywords Filamentous bacteriophage, Magic-Angle Spinning, NMR, Pf1, Resonance Assignment

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.371 seconds)

BMRB: 15138

Sample #1

Sample #2

Sample #1

Sample #2

Sample #1

Sample #2

Sample #1

Sample #2

Related entities 1. Pf1 Filamentous phage, : 1 : 17 entities Detail

Experiments performed 9 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 6 contents Detail