BMRBj - BMREntryMaster

Found 1 Document (0.669 seconds)

BMRB: 50811

8QHH

NMR resonance assignment of the green kiwi fruit allergen Act d 8.0101

Authors

Zeindl, R., Tollinger, M.

Assembly

Act d 8.0101

Entity

1. Act d 8.0101 (polymer, Thiol state: all free), 156 monomers, 16790.92 Da Detail

GAITYDMEIP SSISAEKMFK AFVLDGDTII PKALPHAITG VQTLEGDGGV GTIKLTTFGE GSVHKSVKHR IDGLDKENFT YSYSIIEGGA LDVFESISYH IKIVATPDGG CICKNRSIYT PKCDAQVSEE EIKAGKERAS GIFKKVEAYL LANPDC

Formula weight

16790.92 Da

Source organism

Actinidia deliciosa

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.5 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.5 % (1659 of 1756)	93.0 % (840 of 903)	96.0 % (667 of 695)	96.2 % (152 of 158)
Backbone	98.8 % (913 of 924)	97.5 % (314 of 322)	99.8 % (451 of 452)	98.7 % (148 of 150)
Sidechain	91.2 % (886 of 972)	90.5 % (526 of 581)	93.0 % (356 of 383)	50.0 % (4 of 8)
Aromatic	86.3 % (107 of 124)	90.3 % (56 of 62)	82.3 % (51 of 62)
Methyl	86.1 % (155 of 180)	84.4 % (76 of 90)	87.8 % (79 of 90)

1. entity 1

GAITYDMEIP SSISAEKMFK AFVLDGDTII PKALPHAITG VQTLEGDGGV GTIKLTTFGE GSVHKSVKHR IDGLDKENFT YSYSIIEGGA LDVFESISYH IKIVATPDGG CICKNRSIYT PKCDAQVSEE EIKAGKERAS GIFKKVEAYL LANPDC

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	Act d 8.0101	[U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		20 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

Release date

2021-03-08

Citation

NMR resonance assignments of the PR-10 allergens Act c 8 and Act d 8 from golden and green kiwifruit
Zeindl, R., Tollinger, M.
Biomol. NMR Assign. (2021), 15, 367-371, PubMed 34106433 , DOI 10.1007/s12104-021-10031-w , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 50812 released on 2021-03-08
Title NMR resonance assignment of the golden kiwi fruit allergen Act c 8.0101

Related entities 1. Act d 8.0101, : 1 : 208 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	Act d 8.0101	[U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		20 mM

2 2D 1H-13C HSQC aromatic

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

3 2D (HB)CB(CGCD)HD

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

4 2D (HB)CB(CGCDCE)HE

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

5 3D HNCO

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

6 3D HN(CA)CO

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

7 3D HCCH-TOCSY

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

8 3D 1H-15N TOCSY

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	Act d 8.0101	[U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		20 mM

9 3D CBCA(CO)NH

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

10 3D HNCACB

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

11 3D (H)CC(CO)NH-TOCSY

Instrument

Agilent DD2 - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
3	Act d 8.0101	[U-99% 13C; U-99% 15N]		0.5 mM
4	sodium phosphate	natural abundance		20 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50811_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: bmr50811_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1798		99.4 (chain: 1, length: 156)
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: 156, Sequence coverage: 99.4%
- Total number of assignments
  - ¹H chemical shifts: 980
  - ¹³C chemical shifts: 668
  - ¹⁵N chemical shifts: 150
- 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