BMRB Entry 18672

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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/BMR18672
MolProbity Validation Chart

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Title:
S4WYILD
Deposition date:
2012-08-20
Original release date:
2013-11-18
Authors:
Kristiansen, Per Eugen; Rahman, Mohummad; Aalen, Reidunn
Citation:

Citation: Rahman, Mohummad; Kristiansen, Per Eugen; Aalen, Reidunn B.. "S4WYILD structure"  .

Assembly members:

Assembly members:
entity, polymer, 109 residues, 12164.699 Da.

Natural source:

Natural source:   Common Name: Thale cress   Taxonomy ID: 3702   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Arabidopsis thaliana

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MGSSHHHHHHSSGLVPRGSH MISLSGLTSSVESDLDMQQA MLTNKDEKVLKALERTRQLD IPDEKTMPVLMKLLEEAGGN WSYIKLDNYTALVDAIYSVE DENKQSEGS

Data sets:
Data typeCount
13C chemical shifts418
15N chemical shifts105
1H chemical shifts700

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1S4WYILD1

Entities:

Entity 1, S4WYILD 109 residues - 12164.699 Da.

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METILESERLEUSERGLYLEUTHRSERSER
4   VALGLUSERASPLEUASPMETGLNGLNALA
5   METLEUTHRASNLYSASPGLULYSVALLEU
6   LYSALALEUGLUARGTHRARGGLNLEUASP
7   ILEPROASPGLULYSTHRMETPROVALLEU
8   METLYSLEULEUGLUGLUALAGLYGLYASN
9   TRPSERTYRILELYSLEUASPASNTYRTHR
10   ALALEUVALASPALAILETYRSERVALGLU
11   ASPGLUASNLYSGLNSERGLUGLYSER

Samples:

sample_1: H2O 95%; D2O, [U-100% 2H], 5%; potassium phosphate 20 mM; DSS 0.2 mM; DTT 1.0 mM; sodium chloride 50 mM; S4WYILD, [U-98% 15N], 0.8 mM

sample_2: H2O 95%; D2O, [U-100% 2H], 5%; potassium phosphate 20 mM; DSS 0.2 mM; DTT 1.0 mM; sodium chloride 50 mM; S4WYILD, [U-98% 13C; U-98% 15N], 0.8 mM

sample_conditions_1: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

sample_conditions_4: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 308 K

sample_conditions_3: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 303 K

sample_conditions_2: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 313 K

sample_conditions_5: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 393 K

sample_conditions_6: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 388 K

sample_conditions_7: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 383 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_3
2D 1H-15N HSQCsample_1isotropicsample_conditions_4
2D 1H-15N HSQCsample_1isotropicsample_conditions_5
2D 1H-15N HSQCsample_1isotropicsample_conditions_6
2D 1H-15N HSQCsample_1isotropicsample_conditions_7
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1

Software:

CYANA v2.0, Herrmann, Guntert and Wuthrich - structure solution

SPARKY, Goddard - data analysis, peak picking

TALOS, Cornilescu, Delaglio and Bax - data analysis

CARA, Keller and Wuthrich - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
GB AAF63769 AAL01113 AEE74073 AEE74074
REF NP_187088 NP_974217
SP Q8W595
AlphaFold Q8W595

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