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BMRB: 27767

Backbone 1H, 13C, and 15N Chemical Shift Assignments for bacteriophage protein Gp46

Authors

Assembly

Gp46 monomer

Entity

1. Gp46 monomer (polymer, Thiol state: all free), 77 monomers, 8989.073 Da Detail

MMTEDQKFKY LTKIEELEAG CFSDWTKEDI TGDLKYLKKG IIEESIELIR AVNGLTYSEE LHDFTQEIIE ELDISPL

Formula weight

8989.073 Da

Source organism

Escherichia coli

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 95.9 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.9 % (893 of 931)	95.5 % (462 of 484)	96.7 % (355 of 367)	95.0 % (76 of 80)
Backbone	97.4 % (448 of 460)	96.8 % (152 of 157)	97.8 % (222 of 227)	97.4 % (74 of 76)
Sidechain	95.0 % (517 of 544)	94.8 % (310 of 327)	96.2 % (205 of 213)	50.0 % (2 of 4)
Aromatic	88.6 % (62 of 70)	88.6 % (31 of 35)	88.2 % (30 of 34)	100.0 % (1 of 1)
Methyl	100.0 % (92 of 92)	100.0 % (46 of 46)	100.0 % (46 of 46)

1. Gp46

MMTEDQKFKY LTKIEELEAG CFSDWTKEDI TGDLKYLKKG IIEESIELIR AVNGLTYSEE LHDFTQEIIE ELDISPL

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

LACS Plot; CA

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -0.32 ppm, Outliers: 1 Detail

Release date

2019-01-27

Citation

¹H, ¹³C and ¹⁵N NMR assignments of Bacillus subtilis bacteriophage SPO1 protein Gp46
Wang, Y., Liu, B., Zhang, P., Wang, Z., Zhao, S., Matthews, S.
Biomol. NMR Assign. (2019), 13, 245-247, PubMed 30830594 , DOI 10.1007/s12104-019-09885-y , Abstract

Related entities 1. Gp46 monomer, : 1 : 3 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

2 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

3 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

4 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

5 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

6 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

8 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

9 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

10 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

11 3D (H)CCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Gp46	[U-100% 13C; U-100% 15N]		0.5 mM
2	sodium chloride	natural abundance		300 mM
3	TCEP	natural abundance		1 mM
4	potassium phosphate	natural abundance		50 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27767_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: bmr27767_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	989		98.7 (chain: 1, length: 77)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 77, Sequence coverage: 98.7%
- Total number of assignments
  - ¹H chemical shifts: 558
  - ¹³C chemical shifts: 355
  - ¹⁵N chemical shifts: 76
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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