BMRB Entry 19107

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19107
MolProbity Validation Chart

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Title:
1H, 13C and 15N Chemical Shift Assignments for Phl p 5a
Deposition date:
2013-03-21
Original release date:
2014-03-24
Authors:
Goebl, Christoph; Focke, Margarete; Schrank, Evelyne; Madl, Tobias; Kosol, Simone; Madritsch, Christoph; Flicker, Sabine; Valenta, Rudolf; Zangger, Klaus; Tjandra, Nico
Citation:

Citation: Goebl, Christoph; Focke, Margarete; Schrank, Evelyne; Madl, Tobias; Kosol, Simone; Madritsch, Christoph; Flicker, Sabine; Valenta, Rudolf; Zangger, Klaus; Tjandra, Nico. "Principles of efficient IgE cross-linking by allergens derived by the Structure of the Major Grass Pollen Allergen Phl p 5a"  .

Assembly members:

Assembly members:
entity, polymer, 231 residues, 23771.162 Da.

Natural source:

Natural source:   Common Name: Phleum pratense   Taxonomy ID: 15957   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pet17B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: PAGKATTEEQKLIEKINAGF KAALAAAAGVQPADKYRTFV ATFGAASNKAFAEGLSGEPK GAAESSSKAALTSKLDAAYK LAYKTAEGATPEAKYDAYVA TLSEALRIIAGTLEVHAVKP AAEEVKVIPAGELQVIEKVD AAFKVAATAANAAPANDKFT VFEAAFNDAIKASTGGAYES YKFIPALEAAVKQAYAATVA TAPEVKYTVFETALKKAITA MSEAQKAAKPA

Data sets:
Data typeCount
13C chemical shifts936
15N chemical shifts217
1H chemical shifts1436

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Phl p 5a1

Entities:

Entity 1, Phl p 5a 231 residues - 23771.162 Da.

Structured part lacking unstructured termini

1   PROALAGLYLYSALATHRTHRGLUGLUGLN
2   LYSLEUILEGLULYSILEASNALAGLYPHE
3   LYSALAALALEUALAALAALAALAGLYVAL
4   GLNPROALAASPLYSTYRARGTHRPHEVAL
5   ALATHRPHEGLYALAALASERASNLYSALA
6   PHEALAGLUGLYLEUSERGLYGLUPROLYS
7   GLYALAALAGLUSERSERSERLYSALAALA
8   LEUTHRSERLYSLEUASPALAALATYRLYS
9   LEUALATYRLYSTHRALAGLUGLYALATHR
10   PROGLUALALYSTYRASPALATYRVALALA
11   THRLEUSERGLUALALEUARGILEILEALA
12   GLYTHRLEUGLUVALHISALAVALLYSPRO
13   ALAALAGLUGLUVALLYSVALILEPROALA
14   GLYGLULEUGLNVALILEGLULYSVALASP
15   ALAALAPHELYSVALALAALATHRALAALA
16   ASNALAALAPROALAASNASPLYSPHETHR
17   VALPHEGLUALAALAPHEASNASPALAILE
18   LYSALASERTHRGLYGLYALATYRGLUSER
19   TYRLYSPHEILEPROALALEUGLUALAALA
20   VALLYSGLNALATYRALAALATHRVALALA
21   THRALAPROGLUVALLYSTYRTHRVALPHE
22   GLUTHRALALEULYSLYSALAILETHRALA
23   METSERGLUALAGLNLYSALAALALYSPRO
24   ALA

Samples:

sample_1: Phl 0.0 mM; D2O 7%; H2O 93%

sample_2: Phl 0.0 mM; D2O 7%; H2O 93%

sample_3: Phl 0.0 mM; D2O 7%; H2O 93%

sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; pressure: 1 atm; temperature: 297 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
4D HCCH NOESYsample_3isotropicsample_conditions_1
4D HCNH NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_2anisotropicsample_conditions_1

Software:

No software information available

NMR spectrometers:

  • Bruker DMX 500 MHz
  • Bruker DMX 600 MHz
  • Bruker DMX 900 MHz

Related Database Links:

PDB
EMBL CAA50281 CAA52753 CAD87529 CCD28287
GB AAC16526 AAC16527 AAC16528 AAC25994 AAK25823
PRF 2003342A 2023228A
SP Q40962
AlphaFold Q40962

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