BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	97.6 % (1112 of 1139)	98.0 % (583 of 595)	96.8 % (417 of 431)	99.1 % (112 of 113)
Backbone	96.7 % (590 of 610)	97.2 % (210 of 216)	95.6 % (280 of 293)	99.0 % (100 of 101)
Sidechain	98.7 % (610 of 618)	98.4 % (373 of 379)	99.1 % (225 of 227)	100.0 % (12 of 12)
Aromatic	100.0 % (68 of 68)	100.0 % (34 of 34)	100.0 % (33 of 33)	100.0 % (1 of 1)
Methyl	98.8 % (85 of 86)	97.7 % (42 of 43)	100.0 % (43 of 43)

1. Surface protein, mlp lipoprotein family

GAMGPKSKEE LLREKLSEDQ KTHLDWLKEA LGNDGEFDKF LGYDESKIKT ALDHIKSELD KCNGNDADQQ KTTFKQTVQG ALSGGIDGFG SNNAVTTCGN GS

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Sample

Solvent system 93% H2O/7% 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-C13, N15 BB_P28, 93% H2O/7% 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_P28	[U-13C; U-15N]	2 (±0.1) mM

Protein Blocks Logo

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

Release date

2019-01-01

Citation

Solution NMR structure of Borrelia burgdorferi outer surface lipoprotein BBP28, a member of the mlp protein family
Fridmanis, J., Otikovs, M., Brangulis, K., Tars, K., Jaudzems, K.
Proteins (2021), 89, 588-594, PubMed 32949018 , DOI 10.1002/prot.26011 , Abstract

Related entities 1. Surface protein, mlp lipoprotein family, : 1 : 1 : 7 entities Detail

Experiments performed 8 experiments Detail

1 3D 1H-13C NOESY aliphatic

Instrument

Varian UNITY - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% 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-C13, N15 BB_P28, 93% H2O/7% 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_P28	[U-13C; U-15N]	2 (±0.1) mM

2 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_P28	[U-13C; U-15N]	2 (±0.1) mM

3 3D 1H-15N NOESY

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_P28	[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_P28	[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_P28	[U-13C; U-15N]	2 (±0.1) mM

6 3D HN(CO)CA

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_P28	[U-13C; U-15N]	2 (±0.1) mM

7 3D HNCACB

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_P28	[U-13C; U-15N]	2 (±0.1) mM

8 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_P28	[U-13C; U-15N]	2 (±0.1) mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34344_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:62:CYS:SG	1:98:CYS:SG	oxidized, CA 54.188, CB 41.501 ppm	oxidized, CA 54.987, CB 45.992 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr34344_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1205		98.0 (chain: 1, length: 102)
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: 102, Sequence coverage: 98.0%
- Total number of assignments
  - ¹H chemical shifts: 677
  - ¹³C chemical shifts: 414
  - ¹⁵N chemical shifts: 114
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
13	ARG	HH11	6.907
13	ARG	HH12	6.907
13	ARG	HH21	7.027
13	ARG	HH22	7.027
13	ARG	NH1	71.97
13	ARG	NH2	72.047
17	SER	HG	6.062

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	595	588	98.8
¹³C chemical shifts	431	414	96.1
¹⁵N chemical shifts	114	112	98.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	216	211	97.7
¹³C chemical shifts	204	190	93.1
¹⁵N chemical shifts	101	99	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	379	377	99.5
¹³C chemical shifts	227	224	98.7
¹⁵N chemical shifts	13	13	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	42	95.5
¹³C chemical shifts	44	42	95.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	34	100.0
¹³C chemical shifts	33	33	100.0
¹⁵N chemical shifts	1	1	100.0

Keywords Lipoprotein, MEMBRANE PROTEIN

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BMRB: 34344

Sample

Related entities 1. Surface protein, mlp lipoprotein family, : 1 : 1 : 7 entities Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 3 contents Detail