BMRB Entry 18113

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18113
MolProbity Validation Chart

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Title:
Sequence-specific 1H, 15N and 13C resonance assigments of Gad m 1: a allergenic parvalbumin from Atlantic Cod (Gadus morhua).
Deposition date:
2011-11-30
Original release date:
2013-04-02
Authors:
Moraes, Adolfo; Ackerbauer, Daniela; Bublin, Merima; Ferreira, Fatima; Almeida, Fabio; Breiteneder, Heimo; Valente, Ana Paula
Citation:

Citation: Moraes, A.; Ackerbauer, D.; Kostadinova, M.; Bublin, M.; Ferreira, F.; Almeida, F.; Breiteneder, H.; Valente, A.. "1H, 13C and 15N resonance assignments and second structure information of Gad m 1: a -parvalbumin allergen from Atlantic cod (Gadus morhua)."  Biomol. NMR Assignments 7, 133-136 (2013).
PubMed: 22585088

Assembly members:

Assembly members:
Gad_m_1, polymer, 109 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Atlantic cod   Taxonomy ID: 8049   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gadus morhua

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Gadus morhua   Vector: pET17b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Gad_m_1: MAFAGILNDADITAALAACK AEGSFDHKAFFTKVGLAAKS PADIKKVFEIIDQDKSDFVE EDELKLFLQNFSAGARALSD AETKVFLKAGDSDGDGKIGV DEFGAMIKA

Data sets:
Data typeCount
13C chemical shifts418
15N chemical shifts105
1H chemical shifts679

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Gad m 11

Entities:

Entity 1, Gad m 1 109 residues - Formula weight is not available

1   METALAPHEALAGLYILELEUASNASPALA
2   ASPILETHRALAALALEUALAALACYSLYS
3   ALAGLUGLYSERPHEASPHISLYSALAPHE
4   PHETHRLYSVALGLYLEUALAALALYSSER
5   PROALAASPILELYSLYSVALPHEGLUILE
6   ILEASPGLNASPLYSSERASPPHEVALGLU
7   GLUASPGLULEULYSLEUPHELEUGLNASN
8   PHESERALAGLYALAARGALALEUSERASP
9   ALAGLUTHRLYSVALPHELEULYSALAGLY
10   ASPSERASPGLYASPGLYLYSILEGLYVAL
11   ASPGLUPHEGLYALAMETILELYSALA

Samples:

sample_1: Gad m 1, [U-100% 13C; U-100% 15N], 0.6-1.0 uM; sodium phosphate 10 mM; calcium chloride 0.5 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC NH2 onlysample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

TALOS v+, Yang Shen - structure solution

CARA v1.8.4, Rochus Keller - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
EMBL CAM56786 CBG27552
GB AAK63087
SP Q90YK9
AlphaFold Q90YK9

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks