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BMRB: 18113

2MBX

Sequence-specific 1H, 15N and 13C resonance assigments of Gad m 1: a allergenic parvalbumin from Atlantic Cod (Gadus morhua).

Authors

Moraes, A.H., Ackerbauer, D., Bublin, M., Ferreira, F., Almeida, F.C.L., Breiteneder, H., Valente, A.

Assembly

allergenic beta parvalbumin

Entity

1. allergenic beta parvalbumin (polymer, Thiol state: all free), 109 monomers, 11550.93 Da Detail

MAFAGILNDA DITAALAACK AEGSFDHKAF FTKVGLAAKS PADIKKVFEI IDQDKSDFVE EDELKLFLQN FSAGARALSD AETKVFLKAG DSDGDGKIGV DEFGAMIKA

Formula weight

11550.93 Da

Source organism

Gadus morhua

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.2 %, Completeness: 88.6 %, Completeness (bb): 95.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.6 % (1076 of 1215)	88.6 % (551 of 622)	87.3 % (420 of 481)	93.8 % (105 of 112)
Backbone	95.1 % (620 of 652)	96.0 % (217 of 226)	93.7 % (298 of 318)	97.2 % (105 of 108)
Sidechain	83.3 % (552 of 663)	84.3 % (334 of 396)	82.9 % (218 of 263)	0.0 % (0 of 4)
Aromatic	37.5 % (39 of 104)	36.5 % (19 of 52)	38.5 % (20 of 52)
Methyl	95.2 % (118 of 124)	95.2 % (59 of 62)	95.2 % (59 of 62)

1. Gad m 1

MAFAGILNDA DITAALAACK AEGSFDHKAF FTKVGLAAKS PADIKKVFEI IDQDKSDFVE EDELKLFLQN FSAGARALSD AETKVFLKAG DSDGDGKIGV DEFGAMIKA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	Gad m 1	[U-100% 13C; U-100% 15N]	0.6-1.0 uM
2	sodium phosphate	natural abundance	10 mM
3	calcium chloride	natural abundance	0.5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	direct	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.5 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	direct	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.5 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	direct	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.13 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	direct	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.44 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MBX, Strand ID: A Detail

Release date

2013-04-01

Citation

¹H, ¹³C and ¹⁵N resonance assignments and second structure information of Gad m 1: a β-parvalbumin allergen from Atlantic cod (Gadus morhua)
Moraes, A.H., Ackerbauer, D., Kostadinova, M., Bublin, M., Ferreira, F., Almeida, F.C.L., Breiteneder, H., Valente, A.P.
Biomol. NMR Assign. (2013), 7, 133-136, PubMed 22585088 , DOI 10.1007/s12104-012-9393-y , Abstract

Related entities 1. allergenic beta parvalbumin, : 1 : 1 : 252 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC NH2 only