BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	91.3 % (1340 of 1467)	99.5 % (769 of 773)	78.3 % (441 of 563)	99.2 % (130 of 131)
Backbone	84.8 % (616 of 726)	100.0 % (248 of 248)	69.6 % (250 of 359)	99.2 % (118 of 119)
Sidechain	98.0 % (839 of 856)	99.2 % (521 of 525)	95.9 % (306 of 319)	100.0 % (12 of 12)
Aromatic	75.8 % (47 of 62)	90.3 % (28 of 31)	61.3 % (19 of 31)
Methyl	100.0 % (138 of 138)	100.0 % (69 of 69)	100.0 % (69 of 69)

1. entity 1

GAMGTPLEKL VSRLNLNNTE KETLTFLTNL LKEKLVDPNI GLHFKNSGGD ESKIEESVQK FLSELKEDEI KDLLAKIKEN KDKKEKDPEE LNTYKSILAS GFDGIFNQAD SKTTLNKLKD TI

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Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.8 (±0.1), Details 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM [U-13C; U-15N] BB_A03, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 (±1.0) mM
2	sodium chloride	natural abundance	50 (±1.0) mM
3	sodium azide	natural abundance	0.03 (±1.0E-4) % w/v
4	EDTA	natural abundance	1 (±0.01) mM
5	BB_A03	[U-13C; U-15N]	2 (±0.1) mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6QS0, Strand ID: A Detail

Release date

2020-03-10

Citation

Structural and Functional Analysis of BBA03, Borrelia burgdorferi Competitive Advantage Promoting Outer Surface Lipoprotein
Fridmanis, J., Bobrovs, R., Brangulis, K., Tars, K., Jaudzems, K.
Pathogens (2020), 9, PubMed 33050189 , DOI 10.3390/pathogens9100826 , Abstract

Related entities 1. Surface protein, mlp lipoprotein family, : 1 : 1 : 1 entities Detail

Experiments performed 6 experiments Detail

1 3D 1H-15N NOESY

Instrument

Varian UNITY - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.8 (±0.1), Details 20 mM sodium phosphate, 50 mM sodium chloride, 0.03 % w/v sodium azide, 1 mM EDTA, 2 mM [U-13C; U-15N] BB_A03, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 (±1.0) mM
2	sodium chloride	natural abundance	50 (±1.0) mM
3	sodium azide	natural abundance	0.03 (±1.0E-4) % w/v
4	EDTA	natural abundance	1 (±0.01) mM
5	BB_A03	[U-13C; U-15N]	2 (±0.1) mM

2 3D 1H-13C NOESY aliphatic

Instrument

Varian UNITY - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 (±1.0) mM
2	sodium chloride	natural abundance	50 (±1.0) mM
3	sodium azide	natural abundance	0.03 (±1.0E-4) % w/v
4	EDTA	natural abundance	1 (±0.01) mM
5	BB_A03	[U-13C; U-15N]	2 (±0.1) mM

3 3D 1H-13C NOESY aromatic

Instrument

Varian UNITY - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 (±1.0) mM
2	sodium chloride	natural abundance	50 (±1.0) mM
3	sodium azide	natural abundance	0.03 (±1.0E-4) % w/v
4	EDTA	natural abundance	1 (±0.01) mM
5	BB_A03	[U-13C; U-15N]	2 (±0.1) mM

4 3D HNCO

Instrument

Varian UNITY - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 (±1.0) mM
2	sodium chloride	natural abundance	50 (±1.0) mM
3	sodium azide	natural abundance	0.03 (±1.0E-4) % w/v
4	EDTA	natural abundance	1 (±0.01) mM
5	BB_A03	[U-13C; U-15N]	2 (±0.1) mM

5 3D HNCA

Instrument

Varian UNITY - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 (±1.0) mM
2	sodium chloride	natural abundance	50 (±1.0) mM
3	sodium azide	natural abundance	0.03 (±1.0E-4) % w/v
4	EDTA	natural abundance	1 (±0.01) mM
5	BB_A03	[U-13C; U-15N]	2 (±0.1) mM

6 3D CBCA(CO)NH

Instrument

Varian UNITY - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 (±1.0) mM
2	sodium chloride	natural abundance	50 (±1.0) mM
3	sodium azide	natural abundance	0.03 (±1.0E-4) % w/v
4	EDTA	natural abundance	1 (±0.01) mM
5	BB_A03	[U-13C; U-15N]	2 (±0.1) mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34361_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: bmr34361_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1467		100.0 (chain: 1, length: 122)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 122, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 911
  - ¹³C chemical shifts: 427
  - ¹⁵N chemical shifts: 129
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
23	THR	HG1	5.608
28	THR	HG1	4.551
94	TYR	HH	9.973

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	773	768	99.4
¹³C chemical shifts	563	427	75.8
¹⁵N chemical shifts	132	129	97.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	248	247	99.6
¹³C chemical shifts	244	122	50.0
¹⁵N chemical shifts	119	117	98.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	525	521	99.2
¹³C chemical shifts	319	305	95.6
¹⁵N chemical shifts	13	12	92.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	70	70	100.0
¹³C chemical shifts	70	70	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	31	28	90.3
¹³C chemical shifts	31	19	61.3

Keywords Lipoprotein, MEMBRANE PROTEIN

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Found 1 Document (0.548 seconds)

BMRB: 34361

Sample

Related entities 1. Surface protein, mlp lipoprotein family, : 1 : 1 : 1 entities Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 3 contents Detail